(+)-3-Carene


PubChem CID 443156
Molecular Formula C10H16
Structure Compound Image
Synonyms
(+)-3-Carene
498-15-7
(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
Isodiprene
(1S)-(+)-3-Carene
(+)-delta3-Carene
(+)-car-3-ene
(+)-D-3-Carene
3-Carene, (+)-
(+)-Delta(3)-carene
(1S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
XBL40A7IA6
1352058-87-7
Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-, (1S,6R)-
(S)-(+)-3-Carene
3-Carene, (1S,6R)-(+)-
(1S)-3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene
Bicyclo(4.1.0)hept-3-ene, 3,7,7-trimethyl-, (1S,6R)-
(+)-alpha-carene
.delta. 3-carene
3-.delta.-Carene
.DELTA.-caR-3-ene
(+)-.delta.3-Carene
4,7,7-Trimethyl-3-norcarene
(1S,6R)-3-Carene
UNII-XBL40A7IA6
(1S,6R)-(+)-3-carene
Bicyclo(4.1.0)hept-3-ene, 3,7,7-trimethyl-, (1S)-
3,7,7-trimethyl bicyclohept-3-ene
MFCD00066417
EINECS 207-856-6
.delta.-3-Carene
Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-
CHEBI:7
1alpha,6alpha-car-3-ene
(+)-3-Carene 1000 microg/mL in Isopropanol
(1R,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-3-ene
DTXSID60858827
(+)-3-Carene, analytical standard
AKOS024462648
(1S)-(+)-3-Carene, 99%
LMPR0102120021
AS-67519
HY-126027
CS-0090277
NS00116192
D78494
EN300-198858
A827862
J-511415
Q15222640
(+)-3-delta-Carene, primary pharmaceutical reference standard

Computed Descriptors


IUPAC Name (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
SMILES CC1=CC[C@@H]2[C@H](C1)C2(C)C
Canonical SMILES CC1=CCC2C(C1)C2(C)C
InChI InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1
InChIKey BQOFWKZOCNGFEC-BDAKNGLRSA-N

Computed Properties

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Molecular Weight 136.23 g/mol
XLogP3 2.8
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 186
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

4 pairs of Verified P450 and (+)-3-Carene


Insect Gene Symbol Validation Reference
Dendroctonus ponderosae CYP345E2 E
Dendroctonus ponderosae CYP6DE1 X
Dendroctonus armandi CYP6CR2 R
Dendroctonus armandi CYP6DE5 R