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Ingredients

Deoxypodophyllotoxin

C22H22O7

Entity Type
Ingredients
Relation Groups
2
Relation Preview
12

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Deoxypodophyllotoxin
Molecular Formula
C22H22O7
Molecular Weight
No data
Canonical SMILES
COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O
Isomeric SMILES
COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O
InChI
InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1
Oral Bioavailability
37.749
Drug Likeness
0.733
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

herb ingredient4 Herbs
03
白八角莲
Bai Ba Jiao Lian / Radix et Rhizoma Dysosmae Majorensis
Bai Ba Jiao LianRadix et Rhizoma Dysosmae Majorensis