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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

4'-demethyldeoxypodophyllotoxin

C21H20O7

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
11

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
4'-demethyldeoxypodophyllotoxin
Molecular Formula
C21H20O7
Molecular Weight
No data
Canonical SMILES
COC1=CC(=CC(=C1O)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O
Isomeric SMILES
COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O
InChI
InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1
Oral Bioavailability
No data
Drug Likeness
0.815
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.

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Source Herbs

herb ingredient8 Herbs
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