U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24
Molecular Weight 204.3516
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARYOPHYLLENE

SMILES

C/C/1=C(/[H])\CCC(=C)[C@@]2([H])CC(C)(C)[C@]2([H])CC1

InChI

InChIKey=NPNUFJAVOOONJE-GFUGXAQUSA-N
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

HIDE SMILES / InChI

Molecular Formula C15H24
Molecular Weight 204.3516
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
155.0 nM [Ki]
PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 07:13:19 UTC 2021
Edited
by admin
on Sat Jun 26 07:13:19 UTC 2021
Record UNII
BHW853AU9H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARYOPHYLLENE
MI  
Common Name English
BETA-CARYOPHYLLENE [FCC]
Common Name English
CARYOPHYLLENE [MI]
Common Name English
(-)-TRANS-CARYOPHYLLENE
Common Name English
8-METHYLENE-4,11,11-(TRIMETHYL)BICYCLO(7.2.0)UNDEC-4-ENE
Common Name English
(-)-(E)-CARYOPHYLLENE
Common Name English
FEMA NO. 2252
Code English
BICYCLO(7.2.0)UNDEC-4-ENE, 8-METHYLENE-4,11,11-TRIMETHYL-, (E)-(1R,9S)-(-)-
Systematic Name English
BICYCLO(7.2.0)UNDEC-4-ENE, 4,11,11-TRIMETHYL-8-METHYLENE-, (1R,4E,9S)-
Systematic Name English
BETA-CARYOPHYLLENE
FCC   INCI  
INCI  
Official Name English
.BETA.-CARYOPHYLLENE
FHFI  
Common Name English
(1R,4E,9S)-4,11,11-TRIMETHYL-8-METHYLENEBICYCLO(7.2.0)UNDEC-4-ENE
Systematic Name English
BETA-CARYOPHYLLENE [INCI]
Common Name English
.BETA.-CARYOPHYLLENE [FHFI]
Common Name English
NSC-11906
Code English
TRANS-.BETA.-CARYOPHYLLENE
Common Name English
TRANS-CARYOPHYLLENE
Common Name English
Classification Tree Code System Code
JECFA EVALUATION BETA-CARYOPHYLLENE
Created by admin on Sat Jun 26 07:13:19 UTC 2021 , Edited by admin on Sat Jun 26 07:13:19 UTC 2021
DSLD 3548 (Number of products:9)
Created by admin on Sat Jun 26 07:13:19 UTC 2021 , Edited by admin on Sat Jun 26 07:13:19 UTC 2021
CFR 21 CFR 172.515
Created by admin on Sat Jun 26 07:13:19 UTC 2021 , Edited by admin on Sat Jun 26 07:13:19 UTC 2021
Code System Code Type Description
ECHA (EC/EINECS)
201-746-1
Created by admin on Sat Jun 26 07:13:19 UTC 2021 , Edited by admin on Sat Jun 26 07:13:19 UTC 2021
PRIMARY
FDA UNII
BHW853AU9H
Created by admin on Sat Jun 26 07:13:19 UTC 2021 , Edited by admin on Sat Jun 26 07:13:19 UTC 2021
PRIMARY
PUBCHEM
5281515
Created by admin on Sat Jun 26 07:13:19 UTC 2021 , Edited by admin on Sat Jun 26 07:13:19 UTC 2021
PRIMARY
EVMPD
SUB47600
Created by admin on Sat Jun 26 07:13:19 UTC 2021 , Edited by admin on Sat Jun 26 07:13:19 UTC 2021
PRIMARY
RXCUI
1368148
Created by admin on Sat Jun 26 07:13:19 UTC 2021 , Edited by admin on Sat Jun 26 07:13:19 UTC 2021
PRIMARY RxNorm
EPA CompTox
87-44-5
Created by admin on Sat Jun 26 07:13:19 UTC 2021 , Edited by admin on Sat Jun 26 07:13:19 UTC 2021
PRIMARY
MERCK INDEX
M3145
Created by admin on Sat Jun 26 07:13:19 UTC 2021 , Edited by admin on Sat Jun 26 07:13:19 UTC 2021
PRIMARY Merck Index
CAS
87-44-5
Created by admin on Sat Jun 26 07:13:19 UTC 2021 , Edited by admin on Sat Jun 26 07:13:19 UTC 2021
PRIMARY
WIKIPEDIA
CARYOPHYLLENE
Created by admin on Sat Jun 26 07:13:19 UTC 2021 , Edited by admin on Sat Jun 26 07:13:19 UTC 2021
PRIMARY
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