ASCOCHLORIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H29ClO4
Molecular Weight	404.927
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\C=C\C(C)=C\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O

InChI

InChIKey=SETVRSKZJJWOPA-FLDGXQSCSA-N

InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H29ClO4
Molecular Weight	404.927
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Estrogen receptor beta 113 Target ID: CHEMBL242 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12954063	Antagonist 2849
Estrogen receptor alpha 134 Target ID: CHEMBL206 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12954063	Antagonist 2849
Pregnane X receptor 36 Target ID: CHEMBL3401 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12954063	Antagonist 2849

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:46:08 GMT 2025` Edited by `admin` on `Tue Apr 01 17:46:08 GMT 2025`
Record UNII	PEZ8F05ODV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASCOCHLORIN

Common Name

English

LL-Z1272.GAMMA.

Preferred Name

English

BENZALDEHYDE, 3-CHLORO-4,6-DIHYDROXY-2-METHYL-5-((2E,4E)-3-METHYL-5-((1R,2R,6R)-1,2,6-TRIMETHYL-3-OXOCYCLOHEXYL)-2,4-PENTADIEN-1-YL)-

Systematic Name

English

NSC-287492

Code

English

3-CHLORO-4,6-DIHYDROXY-2-METHYL-5-((2E,4E)-3-METHYL-5-((1R,2R,6R)-1,2,6-TRIMETHYL-3-OXOCYCLOHEXYL)-2,4-PENTADIEN-1-YL)BENZALDEHYDE

Systematic Name

English

(-)-ASCOCHLORIN

Common Name

English

ANTIBIOTIC LL-Z1272.GAMMA.

Systematic Name

English

ASCOCHLORIN, (-)-

Common Name

English

ILICICOLIN D

Common Name

English

Code System Code Type Description

CAS

26166-39-2