General Information of the Compound
| Compound ID |
CP0420160
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| Compound Name |
Beta-Caryophylene
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| Synonyms |
(-)- -caryophyllene
(-)-(E)-Caryophyllene
(-)-Caryophyllene
(-)-I(2)-caryophyllene
(-)-beta-caryophyllene
(-)-trans-Caryophyllene
(-)-trans-Caryophyllene, >=98.5% (sum of enantiomers, GC)
(-)-trans-Caryophyllene, analytical standard
(1R,4E,9S)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene
(1R,4E,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
(1R,9S,E)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
(1S,9R)-6,10,10-trimethyl-2-methylenebicyclo[7.2.0]undec-5-ene
(E)-Caryophyllene
(E)-beta-caryophylene
(E)-beta-caryophyllene
8-Methylene-4,11,11-(trimethyl)bicyclo(7.2.0)undec-4-ene, (1R,4E,9S)-
8-Methylene-4,11,11-(trimethyl)bicyclo[7.2.0]undec-4-ene
87-44-5
AKOS024283988
BDBM50529607
BETA-CARYOPHYLLENE
BHW853AU9H
Beta-Caryophylene
Beta-caryophyllene
Bicyclo(7.2.0)undec-4-ene, 8-methylene-4,11,11-trimethyl-, (E)-(1R,9S)-(-)-
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (E)-(1R,9S)-(-)-
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R- (1R*,4E,9S*)]-
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]-
Bicyclo[7.2.0]undec-4-ene, 8-methylene-4,11,11-trimethyl-, (E)-(1R,9S)-(-)-
C09629
CAS-87-44-5
CHEBI:10357
CHEMBL445740
CS-0016839
Caryophyllene
Caryophyllene B
Caryophyllene, (E)
DSSTox_CID_4739
DSSTox_GSID_24739
DSSTox_RID_77517
DTXSID8024739
E-.beta.-caryophyllene
E-beta-caryophyllene
HY-N1415
L-Caryophyllene
LMPR0103120001
MFCD00075925
NCGC00142620-01
NCGC00255159-01
NSC 11906
NSC11906
Q421614
ST072181
Tincturoid
Tox21_301497
UNII-BHW853AU9H
UNII-K4H93P747O component NPNUFJAVOOONJE-GFUGXAQUSA-N
V0915
W-109317
ZINC8234282
b-caryophyllene
beta-(E)-Caryophyllene
beta-(e)-caryophyllene
beta-Caryophyllen
beta-Caryophyllene
beta-Caryophyllene, (-)
beta-Caryophyllene, >=80%, FCC, FG
beta-cariofillene
beta-caryophillene
beta-trans-Caryophyllene
beta-trans-caryophyllene
g-Caryophyllene
s6058
trans-(1R,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
trans-(1R,9S)-8-Methylene-4,11,11-trimethylbicyclo[7.2.0]undec-4-ene
trans-.beta.-Caryophyllene
trans-Caryophyllene
trans-beta-caryophyllene
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| Structure |
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| Formula |
C15H24
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| Molecular Weight |
204.357
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| Canonical SMILES |
C\C1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1
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| InChI |
InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
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| InChIKey |
NPNUFJAVOOONJE-GFUGXAQUSA-N
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| CAS |
8007-38-3
1407-53-0
87-44-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound