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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24
Molecular Weight 204.3511
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOCARYOPHYLLENE

SMILES

CC1=CCCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1

InChI

InChIKey=NPNUFJAVOOONJE-FLFDDASRSA-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 204.3511
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
Fumigant antifungal activity of Myrtaceae essential oils and constituents from Leptospermum petersonii against three Aspergillus species.
2012-09-03
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:38:03 GMT 2025
Edited
by admin
on Mon Mar 31 18:38:03 GMT 2025
Record UNII
NRY8I0KNIR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOCARYOPHYLLENE
Common Name English
CARYOPHYLLENE ISOCARYOPHYLLENE
MI  
Preferred Name English
CARYOPHYLLENE ISOCARYOPHYLLENE [MI]
Common Name English
CIS-CARYOPHYLLENE
Common Name English
BICYCLO(7.2.0)UNDEC-4-ENE, 4,11,11-TRIMETHYL-8-METHYLENE-, (1R,4Z,9S)-
Systematic Name English
.GAMMA.-CARYOPHYLLENE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10881246
Created by admin on Mon Mar 31 18:38:03 GMT 2025 , Edited by admin on Mon Mar 31 18:38:03 GMT 2025
PRIMARY
PUBCHEM
5281522
Created by admin on Mon Mar 31 18:38:03 GMT 2025 , Edited by admin on Mon Mar 31 18:38:03 GMT 2025
PRIMARY
ECHA (EC/EINECS)
204-267-6
Created by admin on Mon Mar 31 18:38:03 GMT 2025 , Edited by admin on Mon Mar 31 18:38:03 GMT 2025
PRIMARY
CAS
118-65-0
Created by admin on Mon Mar 31 18:38:03 GMT 2025 , Edited by admin on Mon Mar 31 18:38:03 GMT 2025
PRIMARY
MERCK INDEX
m3145
Created by admin on Mon Mar 31 18:38:03 GMT 2025 , Edited by admin on Mon Mar 31 18:38:03 GMT 2025
PRIMARY Merck Index
FDA UNII
NRY8I0KNIR
Created by admin on Mon Mar 31 18:38:03 GMT 2025 , Edited by admin on Mon Mar 31 18:38:03 GMT 2025
PRIMARY
MESH
C024714
Created by admin on Mon Mar 31 18:38:03 GMT 2025 , Edited by admin on Mon Mar 31 18:38:03 GMT 2025
PRIMARY