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

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 TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
Predicted GC-MSGC-MSPositiveNot AvailableView 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/MSNot AvailablePositivelowView 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/MSNot AvailablePositivemedView 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/MSNot AvailablePositivehighView 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/MSNot AvailableNegativelowView 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/MSNot AvailableNegativemedView 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/MSNot AvailableNegativehighView 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

NameGroup
CinnamonHerbs and Spices PublicationsShow
Common sageHerbs and Spices PublicationsShow
RosemaryHerbs and Spices PublicationsShow

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

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