6,8-Diprenylnaringenin
precursor
Showing entry for 6,8-Diprenylnaringenin
Identification
- PhytoHub ID
- PHUB000374
- Name
- 6,8-Diprenylnaringenin
- Systematic Name
- Not Available
- Synonyms
- Lonchocarpol A
- Senegalensein
- CAS Number
- Not Available
- Average Mass
- 408.494
- Monoisotopic Mass
- 408.193674002
- Chemical Formula
- C25H28O5
- IUPAC Name
- 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
- InChI Key
- HCNLDGTUMBOHKT-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3
- SMILES
CC(C)=CCC1=C(O)C2=C(OC(CC2=O)C2=CC=C(O)C=C2)C(CC=C(C)C)=C1O
- Structure
Structure for 6,8-Diprenylnaringenin
Calculated Properties
- Solubility (ALOGPS)
- 5.75e-03 g/l
- LogS (ALOGPS)
- -4.85
- LogP (ALOGPS)
- 4.50
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 5
- Polar Surface Area
- 86.99
- Refractivity
- 119.7754
- Polarizability
- 45.31907803086477
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.961077727446398
- pKa (strongest acidic)
- 7.50827130496677
- Number of Rings
- 3
- Rule of Five
- No
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavanones
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Flavans
- Direct Parent Name
- 8-prenylated flavanones
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "6-prenylated flavanones", "7-hydroxyflavonoids", "Alkyl aryl ethers", "Aryl alkyl ketones", "Benzene and substituted derivatives", "Chromones", "Flavanones", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Vinylogous acids"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "6-prenylated flavan", "6-prenylated flavanone", "7-hydroxyflavonoid", "8-prenylated flavanone", "Alkyl aryl ether", "Aromatic heteropolycyclic compound", "Aryl alkyl ketone", "Aryl ketone", "Benzenoid", "Benzopyran", "Chromane", "Chromone", "Ether", "Flavanone", "Hydrocarbon derivative", "Hydroxyflavonoid", "Ketone", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Vinylogous acid"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (57.07042529,0.7400446385);(69.07042529,2.355141785);(95.04968984,1.040359207);(119.0496898,2.129798001);(121.0653399,2.617371303);(123.08099,0.8278915716);(137.0602545,1.49104917);(241.1228548,0.6094301336);(247.097034,0.7477643798);(261.1490695,2.49809881);(271.1334195,0.707826864);(273.1490695,1.104927497);(283.1334195,0.6786243696);(285.1490695,0.5993073613);(287.1283341,1.097166355);(287.1647196,0.8129956982);(289.1439842,5.795974553);(303.1596342,0.7476426432);(339.1232487,2.123713518);(341.1388988,1.06396695);(347.1283341,0.9308282429);(351.1232487,0.6491379829);(351.1232487,0.6491379829);(353.1388988,5.32129002);(365.1388988,7.290807718);(367.1545488,7.428764382);(369.1701989,1.875549162);(391.1909343,2.245032299);(391.1909343,7.297669495);(393.1701989,0.6546290813);(409.201499,35.86805882) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (69.07042529,10.97892767);(95.04968984,1.172693762);(107.0496898,8.240248643);(109.0653399,1.473213867);(119.0496898,1.417494856);(121.0289544,1.257999054);(121.0653399,2.684943202);(123.0446045,2.599415486);(147.0446045,1.437655211);(217.0864693,2.050046787);(233.0813839,1.284754226);(247.097034,1.184977009);(269.1177694,2.914711979);(271.1334195,5.058981968);(273.1490695,4.529437345);(287.1283341,2.108204146);(289.1439842,5.135629836);(295.0606485,3.160860715);(297.0762985,1.717239239);(315.1596342,1.43205565);(335.1283341,1.838659747);(341.1388988,1.140695758);(351.1232487,1.778504202);(351.1232487,1.778504202);(353.1388988,10.11632664);(365.1388988,2.946496913);(367.1545488,2.07169948);(369.1701989,3.432587766);(391.1909343,1.827760799);(391.1909343,4.384524465);(409.201499,6.844749384) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (53.03912516,2.21329573);(67.05477522,3.80457701);(69.07042529,6.283420791);(77.03912516,2.27118703);(107.0496898,5.382343341);(109.0653399,2.72012858);(111.08099,2.558376878);(119.0496898,3.991379646);(121.0289544,3.882664855);(121.0653399,3.599933639);(123.0446045,2.237451801);(189.0915547,2.800280835);(199.1122901,2.350641344);(205.0864693,2.6210964);(217.0864693,2.444202816);(231.1021193,3.065532518);(233.0813839,4.66281061);(241.1228548,2.180921665);(243.1385048,2.88787558);(247.097034,4.309039394);(269.1177694,3.297710591);(271.1334195,2.576816279);(273.1490695,3.030895731);(283.097034,2.155753676);(285.112684,2.292921082);(295.0606485,6.553082309);(321.112684,3.157648721);(339.1232487,2.47588783);(391.1909343,3.0405485);(391.1909343,2.474671825);(393.1701989,2.676902993) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (69.07042529,0.2168033556);(81.07042529,0.1732920716);(93.03403978,2.8432499);(119.0496898,0.8329583198);(121.0289544,0.4589050916);(135.0446045,0.6195721972);(137.0602545,0.2233390233);(147.0446045,0.7679819559);(163.0395191,0.8345047493);(243.1385048,1.700205803);(253.0864693,0.2756083394);(255.1021193,0.2756083394);(257.1177694,0.4138944199);(259.1334195,4.492577031);(261.1490695,1.031260156);(263.1647196,0.2928987592);(269.1177694,0.2221712898);(285.112684,0.1808068018);(285.1490695,0.1591788705);(287.1283341,1.71775207);(313.1439842,0.5216242378);(337.1075986,0.2332670788);(339.1232487,2.292813702);(363.1232487,0.4192380337);(365.1388988,0.593809255);(367.1545488,0.7840994472);(377.1752843,0.1448844456);(389.1752843,1.263220344);(389.1752843,3.684750059);(391.1545488,0.3845440647);(407.185849,71.94518079) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (17.00273965,1.402292988);(69.07042529,1.551953379);(93.03403978,4.020731166);(119.0496898,1.322201156);(121.0289544,1.437468166);(145.0289544,0.9003824922);(147.0446045,1.58400274);(163.0395191,1.252024663);(175.0759046,0.87672208);(191.0708192,1.266107484);(243.1385048,4.284249871);(253.0864693,1.406471289);(255.1021193,1.406471289);(257.1177694,1.895739141);(259.1334195,7.927761709);(261.1490695,2.74613244);(269.1177694,1.196012611);(271.1334195,1.431686955);(285.1490695,1.251546078);(287.1283341,5.906879861);(313.1439842,1.420640888);(321.112684,0.9140582305);(337.1075986,1.540362003);(339.1232487,9.445526287);(365.1388988,2.343345188);(365.1752843,1.057765554);(367.1545488,2.447727581);(389.1752843,1.788492374);(389.1752843,2.895337023);(391.1545488,1.288192133);(407.185849,29.79171518) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,1.312119927);(55.05477522,1.571473438);(93.03403978,13.72344422);(105.0340398,2.770947583);(117.0340398,2.201184479);(119.0496898,5.174440145);(121.0289544,5.294137564);(121.0653399,3.634260978);(123.08099,1.853032384);(159.0446045,2.310823595);(173.0602545,2.71194951);(175.0759046,11.88981196);(203.0708192,1.523341427);(217.0864693,4.910824999);(219.1385048,1.850862667);(227.1072047,1.706045569);(241.1228548,2.335328055);(243.1385048,6.994766025);(245.1541549,2.863141622);(259.1334195,1.619673962);(269.1177694,2.374294136);(271.1334195,1.629924242);(285.1490695,1.266080114);(287.1283341,1.326301496);(297.112684,1.443484902);(301.1439842,1.828569081);(335.0919486,1.454159436);(337.1075986,2.799517589);(351.1232487,1.291366683);(389.1752843,1.743923075);(391.1545488,4.590769136) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (409.20095,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (147.04405,52.0);(289.14343,100.0);(409.20095,75.0) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (121.06479,27.0);(147.04405,12.0);(289.14343,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (407.18639,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (243.13904,18.0);(287.12887,84.0);(407.18639,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (119.05023,100.0);(159.04514,20.0);(243.13904,41.0);(287.12887,16.0) |
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available