CARYOPHYLLENE

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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 CARYOPHYLLENE

Structure Search

SMILES

[H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C\CCC2=C

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	204.3511
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Targets

Primary 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

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:52:51 UTC 2023` Edited by `admin` on `Fri Dec 15 15:52:51 UTC 2023`
Record UNII	BHW853AU9H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CARYOPHYLLENE

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

Official Name

English

.BETA.-CARYOPHYLLENE

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 Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

DSLD

3548 (Number of products:9)

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

CFR

21 CFR 172.515

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

Code System Code Type Description

ECHA (EC/EINECS)

201-746-1

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

PRIMARY

JECFA MONOGRAPH

1323

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

PRIMARY

FDA UNII

BHW853AU9H

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

PRIMARY

PUBCHEM

5281515

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

PRIMARY

EVMPD

SUB47600

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

PRIMARY

RXCUI

1368148

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

PRIMARY

RxNorm

CHEBI

10357

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

PRIMARY

EPA CompTox

DTXSID8024739

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

PRIMARY

NSC

11906

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

PRIMARY

MERCK INDEX

m3145

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

PRIMARY

Merck Index

CAS

87-44-5

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

PRIMARY

WIKIPEDIA

CARYOPHYLLENE

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

PRIMARY

DAILYMED

BHW853AU9H

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

PRIMARY

SMS_ID

100000132539

Created by admin on Fri Dec 15 15:52:51 UTC 2023 , Edited by admin on Fri Dec 15 15:52:51 UTC 2023

PRIMARY

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