Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3717
- Core Entity Id
- 7319
- Source Entity Count
- 1
- Preferred Name
- 3,8''-binaringenin
- Name En
- Pubchem Id
- 25198866
- Smiles Canonical
- COC1CCN(CC1)C(=O)OC
- Molecular Formula
- C30H22O10
- Molecular Weight
- 542.1200
- Inchikey
- QJHKVFLNDGYLQZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H15NO3/c1-11-7-3-5-9(6-4-7)8(10)12-2/h7H,3-6H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.5000
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 38.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,8''-Binaringenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,8''-binaringenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,8''-binaringenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,8''-binaringenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007819
Tcmid
2382
Tcmbank
TCMBANKIN048057
Etcm Ingredient
3,8''-Binaringenin
Itcmdb Generated
ITX-INGREDIENT-1067C650ABAD
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2007_3d_all/02382.mol2
Reference
660
Molecular Weight
542.120
Molecular Formula
C30H22O10
Molecular Formula
C30H22O10
Molecular Formula
C30H22O10
Fda Maximum Daily Dose (Fdamdd)
0.962
Quantitative Estimate Of Drug Likeness（Qed）
0.165