Peimisine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H41NO3
Molecular Weight	427.6193
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]13CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC4=C3C

InChI

InChIKey=KYELXPJVGNZIGC-GKFGJCLESA-N

InChI=1S/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20-,21-,22+,24+,25-,26+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H41NO3
Molecular Weight	427.6193
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Angiotensin-converting enzyme 94 Target ID: CHEMBL1808 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12865981	Inhibitor 8504		526.5 µM [IC50]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:20:57 GMT 2025` Edited by `admin` on `Mon Mar 31 22:20:57 GMT 2025`
Record UNII	DK8227XD8Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-Ebeiensine

Preferred Name

English

Peimisine

Common Name

English

11-Deoxo-6-oxo-5?,6-dihydrojervine

Systematic Name

English

Spiro[9H-benzo[a]fluorene-9,2?(3?H)-furo[3,2-b]pyridin]-5(6H)-one, 1,2,3,3?a,4,4?,4a,5?,6?,6a,6b,7,7?,7?a,8,11,11a,11b-octadecahydro-3-hydroxy-3?,6?,10,11b-tetramethyl-, (2?R,3S,3?R,3?aS,4aS,6?S,6aR,6bS,7?aR,11aS,11bR)-

Systematic Name

English

(2?R,3S,3?R,3?aS,4aS,6?S,6aR,6bS,7?aR,11aS,11bR)-1,2,3,3?a,4,4?,4a,5?,6?,6a,6b,7,7?,7?a,8,11,11a,11b-Octadecahydro-3-hydroxy-3?,6?,10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2?(3?H)-furo[3,2-b]pyridin]-5(6H)-one

Systematic Name

English

Ebeiensine

Common Name

English

Code System Code Type Description

FDA UNII

DK8227XD8Y

Created by admin on Mon Mar 31 22:20:57 GMT 2025 , Edited by admin on Mon Mar 31 22:20:57 GMT 2025

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CAS

19773-24-1

Created by admin on Mon Mar 31 22:20:57 GMT 2025 , Edited by admin on Mon Mar 31 22:20:57 GMT 2025

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PUBCHEM

161294

Created by admin on Mon Mar 31 22:20:57 GMT 2025 , Edited by admin on Mon Mar 31 22:20:57 GMT 2025

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EPA CompTox

DTXSID10930647

Created by admin on Mon Mar 31 22:20:57 GMT 2025 , Edited by admin on Mon Mar 31 22:20:57 GMT 2025

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