CORYNOLINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H21NO5
Molecular Weight	367.3951
Optical Activity	( + )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12N(C)CC3=C4OCOC4=CC=C3[C@@]1(C)[C@@H](O)CC5=CC6=C(OCO6)C=C25

InChI

InChIKey=IQUGPRHKZNCHGC-TYPHKJRUSA-N

InChI=1S/C21H21NO5/c1-21-14-3-4-15-19(27-10-24-15)13(14)8-22(2)20(21)12-7-17-16(25-9-26-17)5-11(12)6-18(21)23/h3-5,7,18,20,23H,6,8-10H2,1-2H3/t18-,20+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H21NO5
Molecular Weight	367.3951
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
cell adhesion 5 Target ID: GO:0007155 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15698804	Inhibitor 8297		72.4 µM [IC50]

PubMed

Title	Date	PubMed
Cell adhesion inhibitory activity of (d)-corynoline, a hexahydrobenzo[c]phenanthridine-type alkaloid, and its structure-activity relationship, studied by X-ray crystal structure analysis and molecular docking study.	2005 Mar 1	15698804

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:57:33 GMT 2023` Edited by `admin` on `Sat Dec 16 16:57:33 GMT 2023`
Record UNII	ZQ9W3JU6N3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CORYNOLINE

Common Name

English

(+)-CORYNOLINE

Common Name

English

CHELIDONINE, 13-METHYL-

Systematic Name

English

(5BR,6S,12BR)-5B,6,7,12B,13,14-HEXAHYDRO-5B,13-DIMETHYL(1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDIN-6-OL

Systematic Name

English

Code System Code Type Description

FDA UNII

ZQ9W3JU6N3