IngredientID 5219
(3r,4r)-3',7-dihydroxy-2',4'-dimethoxy-4-[(3r)-2',7-dihydroxy-4'-methoxyisoflavan-5'-yl]isoflavan
C33H32O9
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
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5219
- Core Entity Id
- 8989
- Source Entity Count
- 1
- Preferred Name
- (3r,4r)-3',7-dihydroxy-2',4'-dimethoxy-4-[(3r)-2',7-dihydroxy-4'-methoxyisoflavan-5'-yl]isoflavan
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C33H32O9
- Molecular Weight
- 572.6500
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 1.2870
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(3R,4R)-3',7-Dihydroxy-2',4'-Dimethoxy-4-[(3R)-2',7-Dihydroxy-4'-Methoxyisoflavan-5'-Yl]Isoflavan
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(3R,4R)-3',7-Dihydroxy-2',4'-Dimethoxy-4-[(3R)-2',7-Dihydroxy-4'-Methoxyisoflavan-5'-Yl]Isoflavan
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(3R,4R)-3',7-dihydroxy-2',4'-dimethoxy-4-[(3R)-2',7-dihydroxy-4'-methoxyisoflavan-5'-yl]isoflavan
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(3R,4R)-3',7-dihydroxy-2',4'-dimethoxy-4-[(3R)-2',7-dihydroxy-4'-methoxyisoflavan-5'-yl]isoflavan
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3r,4r)-3',7-dihydroxy-2',4'-dimethoxy-4-[(3r)-2',7-dihydroxy-4'-methoxyisoflavan-5'-yl]isoflavan
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(3r,4r)-3',7-dihydroxy-2',4'-dimethoxy-4-[(3r)-2',7-dihydroxy-4'-methoxyisoflavan-5'-yl]isoflavan
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009523
Tcmsp
MOL002988
Sym Map
SMIT05134
Tcmbank
TCMBANKIN024756
Etcm Ingredient
(3R,4R)-3',7-dihydroxy-2',4'-dimethoxy-4-[(3R)-2',7-dihydroxy-4'-methoxyisoflavan-5'-yl]isoflavan
Itcmdb Generated
ITX-INGREDIENT-A9DAD1BDD0C1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
1.2871.2871761.287176197
Suppress
0
Molecule Weight
572.65
Molecular Weight
572.200
Molecular Weight
572.65
Molecular Formula
C33H32O9
Fda Maximum Daily Dose (Fdamdd)
0.969
Quantitative Estimate Of Drug Likeness（Qed）
0.235