Camphor
precursor
Showing entry for Camphor
Identification
- PhytoHub ID
- PHUB000028
- Name
- Camphor
- Systematic Name
- Not Available
- Synonyms
- Bornan-2-one
- Camphan-2-one
- CAS Number
- Not Available
- Average Mass
- 152.237
- Monoisotopic Mass
- 152.120115135
- Chemical Formula
- C10H16O
- IUPAC Name
- (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
- InChI Key
- DSSYKIVIOFKYAU-XVKPBYJWSA-N
- InChI Identifier
InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10-/m0/s1
- SMILES
CC1(C)[C@H]2CC[C@@]1(C)C(=O)C2
- Structure
Structure for Camphor
Calculated Properties
- Solubility (ALOGPS)
- 8.80e-01 g/l
- LogS (ALOGPS)
- -2.24
- LogP (ALOGPS)
- 2.85
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 0
- Polar Surface Area
- 17.07
- Refractivity
- 44.492000000000004
- Polarizability
- 16.949557995549853
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -7.4857085586657375
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Monoterpenoids
- Direct Parent Name
- Bicyclic monoterpenoids
- Alternative Parent Names
- ["Hydrocarbon derivatives", "Ketones", "Organic oxides"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["Aliphatic homopolycyclic compound", "Bicyclic monoterpenoid", "Bornane monoterpenoid", "Carbonyl group", "Hydrocarbon derivative", "Ketone", "Organic oxide", "Organic oxygen compound", "Organooxygen compound"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,5.829315206);(28.03074982,1.685052456);(41.00219012,1.874861081);(41.03857442,1.470747248);(42.01001472,2.224082251);(53.03857442,1.418682714);(54.04639902,1.239912807);(55.05422362,2.654605169);(67.05422362,2.365065033);(68.06204822,1.243450656);(69.06987282,1.880045394);(81.06987282,2.851500382);(82.07769742,1.665717033);(83.08552202,2.665410864);(95.08552202,6.009572923);(107.085522,3.630230388);(108.0933466,4.98280699);(109.1011712,13.28672331);(110.1089958,4.250302752);(111.1168204,2.492067319);(121.1011712,1.565419008);(122.0726115,1.439866734);(122.1089958,2.113482503);(123.0804361,1.568240768);(123.1168204,2.380286159);(124.0882607,3.341307216);(124.124645,3.806094347);(125.0960853,1.605474262);(136.0882607,4.237379532);(137.0960853,8.042462468);(152.1195591,4.179835029) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (27.0234751,0.0153079148);(41.03912516,0.0015283371);(43.01838972,0.2371023659);(45.03403978,0.1154338687);(51.0234751,0.0017145068);(53.03912516,0.0041356083);(55.05477522,0.0035653626);(57.07042529,0.0016111277);(59.08607535,0.0009409918);(67.05477522,0.0087939574);(69.07042529,0.0113513484);(71.08607535,0.0070425404);(81.07042529,0.0044917918);(83.08607535,0.0129172547);(85.10172542,0.0048015393);(93.07042529,0.0039184059);(95.08607535,0.013876166);(97.10172542,0.0027573542);(107.0860754,0.0058389355);(109.1017254,1.084443543);(111.1173755,1.11373198);(119.0860754,0.1106985898);(121.0653399,0.0047003286);(121.1017254,0.3450932676);(123.08099,0.105489736);(123.1173755,0.6480701714);(125.09664,0.2123762084);(127.1122901,0.2453320391);(135.1173755,12.52278481);(137.09664,0.9020112879);(153.1279402,82.24813866) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (41.03912516,0.0315422116);(43.01838972,0.5965815532);(43.05477522,0.0416696828);(45.03403978,0.3494535522);(51.0234751,0.240159411);(53.03912516,0.4624060957);(55.05477522,0.1120371896);(57.07042529,0.2119321199);(67.05477522,0.6297494631);(69.07042529,0.2199196716);(71.08607535,0.2506334386);(73.10172542,0.0312037199);(81.07042529,0.114224134);(83.08607535,0.1564587317);(85.10172542,0.117188153);(93.07042529,0.2969504887);(95.08607535,0.2341563177);(97.10172542,0.0522151227);(105.0704253,0.5341195373);(107.0860754,0.1054512251);(109.1017254,5.354698977);(111.1173755,2.222798316);(119.0860754,0.54106414);(121.1017254,5.85146611);(123.08099,0.3500294072);(123.1173755,4.51192902);(125.09664,0.5883330965);(127.1122901,0.261567793);(135.1173755,16.25447425);(137.09664,1.332725828);(153.1279402,57.94286124) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (27.0234751,1.503945401);(41.03912516,0.6537830803);(43.01838972,2.591100249);(45.03403978,0.9214810793);(51.0234751,2.848235639);(53.03912516,3.330847927);(55.05477522,1.54962691);(57.07042529,0.9623576888);(67.05477522,6.237844395);(69.07042529,4.297432765);(71.08607535,2.421937983);(79.05477522,0.5786641786);(81.07042529,1.906731176);(83.08607535,4.009179117);(85.10172542,0.883074733);(93.07042529,1.426265553);(95.08607535,4.942175661);(97.10172542,1.376692094);(107.0860754,1.897583143);(109.1017254,9.432169897);(111.1173755,2.665695069);(119.0860754,11.4185666);(121.0653399,1.676658539);(121.1017254,1.852181418);(123.08099,0.8596993708);(123.1173755,2.936392604);(125.09664,0.7482196686);(127.1122901,0.6946780929);(135.1173755,17.50376891);(137.09664,3.90356719);(153.1279402,1.969443874) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (25.00782503,0.002409608);(27.0234751,0.0144453669);(39.0234751,0.000004131);(41.00273965,0.0975832414);(43.01838972,0.0149773048);(51.0234751,0.0000009878);(53.03912516,0.0000040103);(55.05477522,0.0000028056);(65.03912516,0.0000005997);(67.05477522,0.0000040103);(69.07042529,0.0000028056);(71.08607535,0.0000007737);(79.05477522,0.0000050232);(81.07042529,0.0000914617);(91.05477522,0.0000611866);(93.07042529,0.0003773332);(95.08607535,0.0000128004);(103.0547752,0.0000356708);(105.0704253,0.0001405707);(107.0860754,0.1322313488);(109.1017254,0.4690679671);(117.0704253,0.0017899231);(119.0496898,0.0009289255);(119.0860754,0.0833274962);(121.0653399,0.0029058722);(121.1017254,0.0951571017);(123.08099,0.0359207766);(125.09664,0.0170655546);(133.1017254,3.190904988);(135.08099,0.3053110733);(151.1122901,95.53522928) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (25.00782503,0.0443131737);(27.0234751,0.0262333617);(39.0234751,0.0001871513);(41.00273965,0.3164363762);(43.01838972,0.173029273);(51.0234751,0.0004416753);(53.03912516,0.0002266835);(55.05477522,0.000494793);(65.03912516,0.000423408);(67.05477522,0.0002266835);(69.07042529,0.000494793);(71.08607535,0.0003889388);(79.05477522,0.0003518081);(81.07042529,0.0015065119);(91.05477522,0.0012032154);(93.07042529,0.0038592571);(95.08607535,0.0007285082);(103.0547752,0.000515762);(105.0704253,0.0068681643);(107.0860754,0.2516206698);(109.1017254,0.8057071336);(117.0704253,0.0187576772);(119.0496898,0.00391304);(119.0860754,0.4465177395);(121.0653399,0.2406852834);(121.1017254,0.6617582323);(123.08099,0.3797704479);(125.09664,0.3580077417);(133.1017254,3.406850849);(135.08099,2.30260601);(151.1122901,90.54587564) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (25.00782503,0.5740402596);(27.0234751,0.3997302266);(39.0234751,0.2823406581);(41.00273965,20.28656608);(43.01838972,2.239033874);(49.00782503,0.1897176377);(51.0234751,0.4395710056);(53.03912516,0.1467186122);(55.05477522,0.1561079491);(65.03912516,0.6951584093);(69.07042529,0.1561079491);(71.08607535,0.3378265301);(79.05477522,0.3922098622);(81.07042529,0.6907759649);(91.05477522,1.189128748);(93.07042529,2.875558996);(95.08607535,0.7294649056);(103.0547752,0.6313700032);(105.0704253,4.251911203);(107.0860754,5.383626048);(109.1017254,3.405171713);(117.0704253,1.081226909);(119.0496898,3.096312773);(119.0860754,5.458043949);(121.0653399,1.313183082);(121.1017254,14.97239379);(123.08099,1.582581233);(125.09664,0.4502418064);(133.1017254,5.092641453);(135.08099,12.45926127);(151.1122901,9.041977107) |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Cinnamon | Herbs and Spices | Publications | Show | |
| Common sage | Herbs and Spices | Publications | Show | |
| Rosemary | Herbs and Spices | 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