PUBESCINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26N2O4
Molecular Weight	382.4528
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCC4=C(NC5=C4C=CC(OC)=C5)[C@@H]3C[C@H]12

InChI

InChIKey=KXEMQEGRZWUKJS-RURTYGRKSA-N

InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H26N2O4
Molecular Weight	382.4528
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.	1991-01-01	1710653

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:53:47 GMT 2025` Edited by `admin` on `Mon Mar 31 19:53:47 GMT 2025`
Record UNII	TP250R6K5B
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-15624

Preferred Name

English

PUBESCINE

Common Name

English

11-METHOXYTETRAHYDROALSTONINE

Common Name

English

RAUBASININE

Common Name

English

OXAYOHIMBAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-11-METHOXY-19-METHYL-, METHYL ESTER, (19.ALPHA.,20.ALPHA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

TP250R6K5B

Created by admin on Mon Mar 31 19:53:47 GMT 2025 , Edited by admin on Mon Mar 31 19:53:47 GMT 2025

PRIMARY

CAS

482-96-2

Created by admin on Mon Mar 31 19:53:47 GMT 2025 , Edited by admin on Mon Mar 31 19:53:47 GMT 2025

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NSC

15624

Created by admin on Mon Mar 31 19:53:47 GMT 2025 , Edited by admin on Mon Mar 31 19:53:47 GMT 2025

PRIMARY

PUBCHEM

72313

Created by admin on Mon Mar 31 19:53:47 GMT 2025 , Edited by admin on Mon Mar 31 19:53:47 GMT 2025

PRIMARY