MetaADEDB 2.0 @ LMMD
caryophyllene
(NPNUFJAVOOONJE-GFUGXAQUSA-N)
Structure
SMILES
C/C/1=C\CCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C
Molecular Formula:
C15H24
Molecular Weight:
204.351
Log P:
4.7252
Hydrogen Bond Acceptor:
0
Hydrogen Bond Donor:
0
TPSA:
0
CAS Number(s):
87-44-5
Synonym(s)
1.
caryophyllene
2.
(E)-beta-caryophyllene
3.
beta-caryophyllene
4.
caryophyllene, (R*,4Z,9S*)-(+-)-isomer
5.
caryophyllene, (R-(R*,4E,9S))-isomer
6.
caryophyllene, (R-(R*,4Z,9S*))-isomer
7.
caryophyllene, (S-(R*,4E,9S*))-isomer
8.
caryophyllene, (S-(R*,4Z,9S*))-isomer
9.
isocaryophyllene
10.
trans-caryophyllene
External Link(s)
MeSHC024714
PubChem Compound5281515
ChEBI10357
CHEMBLCHEMBL445740
KEGGcpd:C09629
ZINC8234282
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Chromosome Aberrations25374376CTD
2Fatty Liver29097836CTD
3Heart Injuries30836069CTD
4Hyperglycemia26748309
30343038		CTD
5Insulin Resistance30343038CTD
6Liver Cirrhosis29097836CTD
7Micronuclei, Chromosome-Defective29154797CTD
8Weight Gain28624443
29097836		CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120265

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.