CICUTOXIN

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H22O2
Molecular Weight	258.3554
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of CICUTOXIN

Structure Search

SMILES

CCC[C@@H](O)\C=C\C=C\C=C\C#CC#CCCCO

InChI

InChIKey=FQVNSJQTSOVRKZ-JNRDBWBESA-N

InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,17-19H,2,11,13-14,16H2,1H3/b6-4+,10-8+,15-12+/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H22O2
Molecular Weight	258.3554
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:10:41 GMT 2025` Edited by `admin` on `Mon Mar 31 22:10:41 GMT 2025`
Record UNII	6F9YP2TYQ0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-606489

Preferred Name

English

CICUTOXIN

Common Name

English

8,10,12-HEPTADECATRIENE-4,6-DIYNE-1,14-DIOL, (8E,10E,12E,14R)-

Systematic Name

English

HEPTADECA-8,10,12-TRIENE-4,6-DIYNE-1,14-DIOL, TRANS-

Systematic Name

English

CICUTOXIN [HSDB]

Common Name

English

8,10,12-HEPTADECATRIENE-4,6-DIYNE-1,14-DIOL, (E,E,E)-(-)-

Systematic Name

English

CICUTOXIN [MI]

Common Name

English

CICUTOXIN, (R)-(-)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30896918

Created by admin on Mon Mar 31 22:10:41 GMT 2025 , Edited by admin on Mon Mar 31 22:10:41 GMT 2025

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FDA UNII

6F9YP2TYQ0

Created by admin on Mon Mar 31 22:10:41 GMT 2025 , Edited by admin on Mon Mar 31 22:10:41 GMT 2025

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MERCK INDEX

m3540

Created by admin on Mon Mar 31 22:10:41 GMT 2025 , Edited by admin on Mon Mar 31 22:10:41 GMT 2025

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Merck Index

NSC

606489

Created by admin on Mon Mar 31 22:10:41 GMT 2025 , Edited by admin on Mon Mar 31 22:10:41 GMT 2025

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CAS

505-75-9

Created by admin on Mon Mar 31 22:10:41 GMT 2025 , Edited by admin on Mon Mar 31 22:10:41 GMT 2025

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HSDB

3472

Created by admin on Mon Mar 31 22:10:41 GMT 2025 , Edited by admin on Mon Mar 31 22:10:41 GMT 2025

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PUBCHEM

25265910

Created by admin on Mon Mar 31 22:10:41 GMT 2025 , Edited by admin on Mon Mar 31 22:10:41 GMT 2025

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WIKIPEDIA

Cicutoxin

Created by admin on Mon Mar 31 22:10:41 GMT 2025 , Edited by admin on Mon Mar 31 22:10:41 GMT 2025

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