Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70275
- Core Entity Id
- 132924
- Source Entity Count
- 1
- Preferred Name
- Balanophonin
- Name En
- Pubchem Id
- 21582569
- Smiles Canonical
- COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC=O
- Molecular Formula
- C21H22O5
- Molecular Weight
- 354.1500
- Inchikey
- GWCSSLSMGCFIFR-GWKPYITFSA-N
- Inchi
- InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-10,15,19,22-23H,11H2,1-2H3/b4-3+/t15-,19+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.0000
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 85.2000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Balanophonin
Itcmdb Generated
ITX-INGREDIENT-EEBE0761C07C
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
354.150
Molecular Formula
C21H22O5
Fda Maximum Daily Dose (Fdamdd)
0.525
Quantitative Estimate Of Drug Likeness（Qed）
0.772