Insect-eP450DB

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Ziqi Cheng, chengziqi1004@163.com
Yang Mei, yang_mei1012@163.com

(-)-Camphene


PubChem CID 440966
Molecular Formula C10H16
Structure Compound Image
Synonyms
(-)-camphene
5794-04-7
L-Camphene
(-)-Comphene
(1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
(1S,4R)-camphene
CHEBI:89
M5YAV509FN
DTXSID3046538
(1S)-2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane
(1S,4R)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane
Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S,4R)-
Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, (1S,4R)-
NCGC00166100-01
(-) camphene
(1S)-;2,2-Dimethyl-3-methylene-bicyclo[2.2.1]heptane; (1S,4R)-(-)- Camphene (8CI); (1S,4R)-2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane; l-Camphene
CAMPHENE, L-
UNII-M5YAV509FN
CAMPHENE, (-)-
(-)-(1S,4R)-camphene
CHEMBL506889
DTXCID1026538
(1S,4R)-(-)-CAMPHENE
EINECS 227-337-8
Tox21_112314
CAS-5794-04-7
C06305
EN300-19631943
Q27105230
Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S)-
(-)-Camphene, technical grade, 75% (90% as camphene and fenchene)
(1S,4R)-6,6-DIMETHYL-5-METHYLIDENEBICYCLO(2.2.1)HEPTANE

Computed Descriptors


IUPAC Name (1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SMILES CC1([C@H]2CC[C@H](C2)C1=C)C
Canonical SMILES CC1(C2CCC(C2)C1=C)C
InChI InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1
InChIKey CRPUJAZIXJMDBK-BDAKNGLRSA-N

Computed Properties

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Molecular Weight 136.23 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 136.125
Monoisotopic Mass 136.125
Topological Polar Surface Area 0
Heavy Atom Count 10
Formal Charge 0
Complexity 177
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1

1 pairs of Verified P450 and (-)-Camphene


Insect Gene Symbol Validation Reference
Dendroctonus ponderosae CYP345E2 E