Skip to main content
Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

(e)-2-[(3s,6's,7's,8'as)-6'-ethyl-2-keto-spiro[indoline-3,1'-indolizidine]-7'-yl]-3-methoxy-acrylic acid methyl ester

C22H28N2O4

View Knowledge GraphBack to List
Entity Type
Ingredients
Relation Groups
4
Relation Preview
29

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(e)-2-[(3s,6's,7's,8'as)-6'-ethyl-2-keto-spiro[indoline-3,1'-indolizidine]-7'-yl]-3-methoxy-acrylic acid methyl ester
Molecular Formula
C22H28N2O4
Molecular Weight
No data
Canonical SMILES
CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O
Isomeric SMILES
CC[C@@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O
InChI
InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15+,19+,22+/m1/s1
Oral Bioavailability
57.854
Drug Likeness
0.491
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Related Entities

Direct relations and traceable candidates grouped by relation type.

Source HerbsActive TargetsRelated CellsRelated Tissues