HOMOCHELIDONINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H23NO5
Molecular Weight	369.411
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@@H](O)CC3=CC4=C(OCO4)C=C3[C@@]1([H])N(C)CC5=C2C=CC(OC)=C5OC

InChI

InChIKey=MADYLZJCRKUBIK-RYGJVYDSSA-N

InChI=1S/C21H23NO5/c1-22-9-14-12(4-5-16(24-2)21(14)25-3)19-15(23)6-11-7-17-18(27-10-26-17)8-13(11)20(19)22/h4-5,7-8,15,19-20,23H,6,9-10H2,1-3H3/t15-,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H23NO5
Molecular Weight	369.411
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
Acetylcholinesterase 207 Target ID: CHEMBL220 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21213973	Inhibitor 8297		350.0 µM [IC50]
Butyrylcholinesterase 46 Target ID: CHEMBL1914 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21213973	Inhibitor 8297		62.3 µM [IC50]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 21:40:28 GMT 2023` Edited by `admin` on `Fri Dec 15 21:40:28 GMT 2023`
Record UNII	ZP901RX893
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HOMOCHELIDONINE

Common Name

English

(1,3)BENZODIOXOLO(5,6-C)PHENANTHRIDIN-5-OL, 4B,5,6,11B,12,13-HEXAHYDRO-1,2-DIMETHOXY-12-METHYL-, (4BR-(4B.ALPHA.,5.BETA.,11B.ALPHA.))-

Common Name

English

(1,3)BENZODIOXOLO(5,6-C)PHENANTHRIDIN-5-OL, 4B,5,6,11B,12,13-HEXAHYDRO-1,2-DIMETHOXY-12-METHYL-, (4BR,5S,11BS)-

Common Name

English

(+)-HOMOCHELIDONINE

Common Name

English

(4BR-(4B.ALPHA.,5.BETA.,11B.ALPHA.))-4B,5,6,11B,12,13-HEXAHYDRO-1,2-DIMETHOXY-12-METHYL(1,3)BENZODIOXOLO(5,6-C)PHENANTHRIDIN-5-OL

Common Name

English

.ALPHA.-HOMOCHELIDONINE

Common Name

English

HOMOCHELIDONINE [MI]

Common Name

English

HOMOCHELIDONINE, (+)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20197209