Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 4Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70335
- Core Entity Id
- 132984
- Source Entity Count
- 1
- Preferred Name
- Berbithine
- Name En
- Pubchem Id
- 14337118
- Smiles Canonical
- COC1=C(C(=C(C=C1)CC2=NC=CC3=CC4=C(C=C32)OCO4)O)OC
- Molecular Formula
- C19H17NO5
- Molecular Weight
- 339.1100
- Inchikey
- UYUZOZODBVCBBM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H17NO5/c1-22-15-4-3-12(18(21)19(15)23-2)7-14-13-9-17-16(24-10-25-17)8-11(13)5-6-20-14/h3-6,8-9,21H,7,10H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.5000
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 70.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Berbithine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Berbithine
Itcmdb Generated
ITX-INGREDIENT-F36C0A921C65
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
339.110
Molecular Formula
C19H17NO5
Fda Maximum Daily Dose (Fdamdd)
0.188
Quantitative Estimate Of Drug Likeness（Qed）
0.787