Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 8Ingredient: 1Target: 3Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68526
- Core Entity Id
- 131175
- Source Entity Count
- 1
- Preferred Name
- 4'-Demethyldeoxypodophyllotoxin
- Name En
- Pubchem Id
- 160705
- Smiles Canonical
- COC1=CC(=CC(=C1O)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O
- Molecular Formula
- C21H20O7
- Molecular Weight
- 384.1200
- Inchikey
- RFDMNXDDRXVJTM-RQUSPXKASA-N
- 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
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.8000
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 83.5000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4'-Demethyldeoxypodophyllotoxin
Itcmdb Generated
ITX-INGREDIENT-E10A3789FB21
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
384.120
Molecular Formula
C21H20O7
Fda Maximum Daily Dose (Fdamdd)
0.875
Quantitative Estimate Of Drug Likeness（Qed）
0.815