Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69309
- Core Entity Id
- 131958
- Source Entity Count
- 1
- Preferred Name
- 7,2',3'-trihydroxy-4'-methoxyisoflavan
- Name En
- Pubchem Id
- 5326316
- Smiles Canonical
- COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)O)O
- Molecular Formula
- C16H16O5
- Molecular Weight
- 288.1000
- Inchikey
- OPRVJOGZFPVPRP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H16O5/c1-20-13-5-4-12(15(18)16(13)19)10-6-9-2-3-11(17)7-14(9)21-8-10/h2-5,7,10,17-19H,6,8H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6000
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 79.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7,2',3'-trihydroxy-4'-methoxyisoflavan
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
7,2',3'-trihydroxy-4'-methoxyisoflavan
Itcmdb Generated
ITX-INGREDIENT-9790D551E647
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
288.100
Molecular Formula
C16H16O5
Fda Maximum Daily Dose (Fdamdd)
0.467
Quantitative Estimate Of Drug Likeness（Qed）
0.740