ISOCARYOPHYLLENE

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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

Structure Search

SMILES

[H][C@]12CC(C)(C)[C@]1([H])CCC(C)=CCCC2=C

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

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Cannabinoid CB2 receptor 71 Target ID: CHEMBL253 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18574142	Agonist 2678		155.0 nM [Ki]

PubMed

PubMed

Title	Date	PubMed
Fumigant antifungal activity of Myrtaceae essential oils and constituents from Leptospermum petersonii against three Aspergillus species.	2012 Sep 3	22945026

Patents

Patents

Name

Type

Language

ISOCARYOPHYLLENE

Common 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

CARYOPHYLLENE ISOCARYOPHYLLENE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10881246

Created by admin on Fri Dec 15 16:55:51 GMT 2023 , Edited by admin on Fri Dec 15 16:55:51 GMT 2023

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PUBCHEM

5281522

Created by admin on Fri Dec 15 16:55:51 GMT 2023 , Edited by admin on Fri Dec 15 16:55:51 GMT 2023

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ECHA (EC/EINECS)

204-267-6

Created by admin on Fri Dec 15 16:55:51 GMT 2023 , Edited by admin on Fri Dec 15 16:55:51 GMT 2023

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CAS

118-65-0

Created by admin on Fri Dec 15 16:55:51 GMT 2023 , Edited by admin on Fri Dec 15 16:55:51 GMT 2023

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MERCK INDEX

m3145

Created by admin on Fri Dec 15 16:55:51 GMT 2023 , Edited by admin on Fri Dec 15 16:55:51 GMT 2023

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Merck Index

FDA UNII

NRY8I0KNIR

Created by admin on Fri Dec 15 16:55:51 GMT 2023 , Edited by admin on Fri Dec 15 16:55:51 GMT 2023

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MESH

C024714

Created by admin on Fri Dec 15 16:55:51 GMT 2023 , Edited by admin on Fri Dec 15 16:55:51 GMT 2023

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SUBSTANCE RECORD


					NRY8I0KNIR

ISOCARYOPHYLLENE