Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

Protostemonine

C23H31NO6

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Entity Type: Ingredients
Relation Groups: 2
Relation Preview: 9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name: Protostemonine
Molecular Formula: C23H31NO6
Molecular Weight: No data
Canonical SMILES: CC1CC(OC1=O)C2CCC3N2CCCC4C3C(C(=C5C(=C(C(=O)O5)C)OC)O4)C
Isomeric SMILES: C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@@H]3N2CCC[C@@H]4[C@@H]3[C@@H](/C(=C/5\C(=C(C(=O)O5)C)OC)/O4)C
InChI: InChI=1S/C23H31NO6/c1-11-10-17(29-22(11)25)14-7-8-15-18-12(2)20(28-16(18)6-5-9-24(14)15)21-19(27-4)13(3)23(26)30-21/h11-12,14-18H,5-10H2,1-4H3/b21-20-/t11-,12-,14-,15-,16+,17-,18+/m0/s1
Oral Bioavailability: 13.062
Drug Likeness: 0.640
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

Direct relations and traceable candidates grouped by relation type.

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