Luteolin 7-O-rutinoside
precursor
Showing entry for Luteolin 7-O-rutinoside
Identification
- PhytoHub ID
- PHUB000899
- Name
- Luteolin 7-O-rutinoside
- Systematic Name
- Not Available
- Synonyms
- 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosid
- 3',4',5,7-Tetrahydroxyflavone; 7-O-[α-L-Rhamnopyranosyl-(1→6)-β-D-glucopyranoside]
- 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydrox
- luteolin 7-O-neohesperidoside
- Luteolin-7-O-rhamnoside
- Luteoline-7-rhamnoglucoside
- Scolymoside
- CAS Number
- 25694-72-8
- Average Mass
- 594.522
- Monoisotopic Mass
- 594.158470266
- Chemical Formula
- C27H30O15
- IUPAC Name
- 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
- InChI Key
- FHHSEFRSDKWJKJ-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
- SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
- Structure
Structure for Luteolin 7-O-rutinoside
Calculated Properties
- Solubility (ALOGPS)
- 2.07e+00 g/l
- LogS (ALOGPS)
- -2.46
- LogP (ALOGPS)
- 0.01
- Hydrogen Acceptors
- 15
- Hydrogen Donors
- 9
- Rotatable Bond Count
- 6
- Polar Surface Area
- 245.28999999999994
- Refractivity
- 137.90879999999996
- Polarizability
- 56.434270373966356
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.6486859942971344
- pKa (strongest acidic)
- 7.296797205563374
- Number of Rings
- 5
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- Yes
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavones
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| LC-MS/MS | LC-ESI-QTOF | Negative | high | View Spectrum | (108.0233,0.09209209);(110.0016,0.37437437);(111.0077,0.17117117);(132.0219,0.4024024);(133.0296,1.0);(134.0359,0.19319319);(135.0437,0.14314314);(136.9886,0.5985986);(139.0045,0.2042042);(143.0515,0.13013013);(145.0324,0.16516517);(146.0374,0.11811812);(158.0393,0.11711712);(159.0448,0.12012012);(163.0046,0.08008008);(164.0149,0.08308308);(165.9927,0.11411411);(170.0358,0.07707708);(171.0468,0.14014014);(173.0266,0.17917918);(174.0318,0.08408408);(175.0411,0.08908909);(182.0366,0.08408408);(183.0445,0.12312312);(185.0258,0.08708709);(187.0404,0.1031031);(199.04,0.40640641);(200.0451,0.09009009);(201.0198,0.79079079);(202.0251,0.11311311);(213.0197,0.0960961);(214.0284,0.10710711);(215.0343,0.15015015);(216.0397,0.08608609);(226.0277,0.09309309);(227.0339,0.42042042);(228.0413,0.17517518);(229.0172,0.12212212);(230.024,0.0950951);(243.0296,0.19019019);(255.0274,0.11511512);(271.0232,0.14514515);(299.0203,0.16116116);(300.0257,0.12012012) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | medium | View Spectrum | (270.016,0.04004004);(285.0399,0.02302302);(298.0115,0.05305305);(300.0274,1.0);(301.0305,0.11511512);(315.0506,0.22722723);(316.0534,0.02502503) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | high | View Spectrum | (108.0216,0.05305305);(110.0019,0.15715716);(111.0094,0.04204204);(119.0132,0.07207207);(123.0091,0.03503504);(124.0172,0.04004004);(124.9874,0.04404404);(132.0216,0.15415415);(133.0296,0.31031031);(134.0378,0.14714715);(135.0351,0.04704705);(135.0436,0.04704705);(136.9884,0.85485485);(137.9934,0.07407407);(139.0039,0.12712713);(146.0372,0.07307307);(148.0374,0.04204204);(149.9961,0.06506507);(158.0386,0.11011011);(159.0453,0.03403403);(163.005,0.07107107);(164.0117,0.05405405);(164.9905,0.04404404);(165.9906,0.24724725);(166.9979,0.06806807);(170.0379,0.03703704);(171.0444,0.06506507);(172.0504,0.08808809);(173.0269,0.04904905);(174.0321,0.11211211);(175.0386,0.05405405);(185.0266,0.04004004);(186.0306,0.05705706);(187.0398,0.06506507);(188.0469,0.06606607);(191.0013,0.04604605);(198.0329,0.06506507);(199.04,0.18218218);(200.0461,0.10810811);(201.0198,0.32132132);(202.0256,0.22822823);(203.0346,0.04304304);(211.039,0.04104104);(213.0197,0.11611612);(214.0256,0.09209209);(215.0354,0.13113113);(216.0421,0.16516517);(226.0277,0.09409409);(227.035,0.41041041);(228.0414,0.46446446);(229.0257,0.11211211);(230.0217,0.18018018);(231.0284,0.05205205);(239.0348,0.05405405);(241.0138,0.0970971);(242.0192,0.09109109);(243.0292,0.40740741);(244.036,0.09209209);(255.0295,0.15115115);(256.0361,0.04304304);(257.0173,0.03503504);(269.0073,0.09309309);(270.0155,0.18618619);(271.024,0.16616617);(272.0301,0.12112112);(273.0303,0.04004004);(282.0177,0.03803804);(283.0237,0.08308308);(299.0194,0.21621622);(300.0269,1.0);(301.0306,0.12212212) | |
| LC-MS/MS | LC-ESI-UNKNOWN | Negative | high | View Spectrum | (108.022,0.053);(110.002,0.157);(111.009,0.042);(119.013,0.072);(123.009,0.035);(124.017,0.04);(124.987,0.044);(132.022,0.154);(133.03,0.31);(134.038,0.147);(135.035,0.047);(135.044,0.047);(136.988,0.855);(137.993,0.074);(139.004,0.127);(146.037,0.073);(148.037,0.042);(149.996,0.065);(158.039,0.11);(159.045,0.034);(163.005,0.071);(164.012,0.054);(164.99,0.044);(165.991,0.247);(166.998,0.068);(170.038,0.037);(171.044,0.065);(172.05,0.088);(173.027,0.049);(174.032,0.112);(175.039,0.054);(185.027,0.04);(186.031,0.057);(187.04,0.065);(188.047,0.066);(191.001,0.046);(198.033,0.065);(199.04,0.182);(200.046,0.108);(201.02,0.321);(202.026,0.228);(203.035,0.043);(211.039,0.041);(213.02,0.116);(214.026,0.092);(215.035,0.131);(216.042,0.165);(226.028,0.094);(227.035,0.41);(228.041,0.464);(229.026,0.112);(230.022,0.18);(231.028,0.052);(239.035,0.054);(241.014,0.097);(242.019,0.091);(243.029,0.407);(244.036,0.092);(255.03,0.151);(256.036,0.043);(257.017,0.035);(269.007,0.093);(270.016,0.186);(271.024,0.166);(272.03,0.121);(273.03,0.04);(282.018,0.038);(283.024,0.083);(299.019,0.216);(300.027,1.0);(301.031,0.122) | |
| LC-MS/MS | LC-ESI-UNKNOWN | Negative | medium | View Spectrum | (270.016,0.04);(285.04,0.023);(298.012,0.053);(300.027,1.0);(301.03,0.115);(315.051,0.227);(316.053,0.025) | |
| LC-MS/MS | LC-ESI-UNKNOWN | Negative | high | View Spectrum | (108.023,0.092);(110.002,0.374);(111.008,0.171);(132.022,0.402);(133.03,1.0);(134.036,0.193);(135.044,0.143);(136.989,0.599);(139.004,0.204);(143.052,0.13);(145.032,0.165);(146.037,0.118);(158.039,0.117);(159.045,0.12);(163.005,0.08);(164.015,0.083);(165.993,0.114);(170.036,0.077);(171.047,0.14);(173.027,0.179);(174.032,0.084);(175.041,0.089);(182.037,0.084);(183.044,0.123);(185.026,0.087);(187.04,0.103);(199.04,0.406);(200.045,0.09);(201.02,0.791);(202.025,0.113);(213.02,0.096);(214.028,0.107);(215.034,0.15);(216.04,0.086);(226.028,0.093);(227.034,0.42);(228.041,0.175);(229.017,0.122);(230.024,0.095);(243.03,0.19);(255.027,0.115);(271.023,0.145);(299.02,0.161);(300.026,0.12) |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Globe artichoke | Vegetables, Other vegetables | Publications | Show |
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