5-O-METHYLEMBELIN

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H28O4
Molecular Weight	308.4125
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-O-METHYLEMBELIN

Structure Search

SMILES

CCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O

InChI

InChIKey=KHBJLRRAMCJZLZ-UHFFFAOYSA-N

InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C18H28O4
Molecular Weight	308.4125
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:30:42 GMT 2023` Edited by `admin` on `Sat Dec 16 15:30:42 GMT 2023`
Record UNII	4H3R9623BA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-O-METHYLEMBELIN

Common Name

English

5-METHOXY-2-OXIDANYL-3-UNDECYL-CYCLOHEXA-2,5-DIENE-1,4-DIONE

Systematic Name

English

2-HYDROXY-5-METHOXY-3-UNDECYL-1,4-BENZOQUINONE

Common Name

English

2,5-CYCLOHEXADIENE-1,4-DIONE, 2-HYDROXY-5-METHOXY-3-UNDECYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10204577

Created by admin on Sat Dec 16 15:30:42 GMT 2023 , Edited by admin on Sat Dec 16 15:30:42 GMT 2023

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PUBCHEM

171489

Created by admin on Sat Dec 16 15:30:42 GMT 2023 , Edited by admin on Sat Dec 16 15:30:42 GMT 2023

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CAS

56005-10-8

Created by admin on Sat Dec 16 15:30:42 GMT 2023 , Edited by admin on Sat Dec 16 15:30:42 GMT 2023

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CHEBI

65842

Created by admin on Sat Dec 16 15:30:42 GMT 2023 , Edited by admin on Sat Dec 16 15:30:42 GMT 2023

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FDA UNII

4H3R9623BA

Created by admin on Sat Dec 16 15:30:42 GMT 2023 , Edited by admin on Sat Dec 16 15:30:42 GMT 2023

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