PSEUROTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H25NO8
Molecular Weight	431.4358
Optical Activity	( - )
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC\C=C/[C@H](O)[C@H](O)C1=C(C)C(=O)[C@@]2(O1)[C@@H](O)[C@](NC2=O)(OC)C(=O)C3=CC=CC=C3

InChI

InChIKey=SLYDIPAXCVVRNY-UOWMTANKSA-N

InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/b11-5-/t14-,15-,19+,21+,22+/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Chitin synthase 1 1 Target ID: Chitin synthase 1 Sources: https://www.tandfonline.com/doi/10.1271/bbb.57.961	Inhibitor 8504		81.0 µM [IC50]

Name

Type

Language

PSEUROTIN

Common Name

English

NSC-348694

Preferred Name

English

(5S,8S,9R)-8-BENZOYL-2-((1S,2S,3Z)-1,2-DIHYDROXY-3-HEXEN-1-YL)-9-HYDROXY-8-METHOXY-3-METHYL-1-OXA-7-AZASPIRO(4.4)NON-2-ENE-4,6-DIONE

Systematic Name

English

PSEUROTIN A

Common Name

English

1-OXA-7-AZASPIRO(4.4)NON-2-ENE-4,6-DIONE, 8-BENZOYL-2-((1S,2S,3Z)-1,2-DIHYDROXY-3-HEXENYL)-9-HYDROXY-8-METHOXY-3-METHYL-, (5S,8S,9R)-

Systematic Name

English

1-OXA-7-AZASPIRO(4.4)NON-2-ENE-4,6-DIONE, 8-BENZOYL-2-(1,2-DIHYDROXY-3-HEXENYL)-9-HYDROXY-8-METHOXY-3-METHYL-, (5S-(2(1R*,2R*,3Z),5.ALPHA.,8.BETA.,9.BETA.))-

Systematic Name

English

1-OXA-7-AZASPIRO(4.4)NON-2-ENE-4,6-DIONE, 8-BENZOYL-2-((1S,2S,3Z)-1,2-DIHYDROXY-3-HEXEN-1-YL)-9-HYDROXY-8-METHOXY-3-METHYL-, (5S,8S,9R)-

Systematic Name

English

(-)-PSEUROTIN

Common Name

English

Code System Code Type Description

CAS

58523-30-1