Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

Methyl betulinate

C31H50O3

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Entity Type: Ingredients
Relation Groups: 2
Relation Preview: 16

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name: Methyl betulinate
Molecular Formula: C31H50O3
Molecular Weight: No data
Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)OC
Isomeric SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)OC
InChI: InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1
Oral Bioavailability: No data
Drug Likeness: 0.343
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.

Source Herbs Active Targets

Source Herbs

herb ingredient8 Herbs

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Pi Pa Ye / Folium Eriobotryae; Eriobotryae Folium

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Qu Mai / Herba Dianthi; Dianthi Herba

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