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

COC1=CC=C2[C@H]3[C@@H](O)CC4=C(C=C5OCOC5=C4)[C@H]3N(C)CC2=C1OC

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Acetylcholinesterase 209 Target ID: CHEMBL220 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21213973	Inhibitor 8504		350.0 µM [IC50]
Butyrylcholinesterase 45 Target ID: CHEMBL1914 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21213973	Inhibitor 8504		62.3 µM [IC50]

Name

Type

Language

HOMOCHELIDONINE

Common Name

English

(+)-HOMOCHELIDONINE

Preferred 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

(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