IngredientID 38565
1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)-(1e,6e)-1,6-heptadiene-3,5-dione
C22H22O7
Relationship Network
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Herb: 1Ingredient: 1Target: 20Links: 24
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38565
- Core Entity Id
- 65904
- Source Entity Count
- 1
- Preferred Name
- 1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)-(1e,6e)-1,6-heptadiene-3,5-dione
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C22H22O7
- Molecular Weight
- 398.4400
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 4.0300
- 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
1-(4-Hydroxy-3,5-Dimethoxyphenyl)-7-(4-Hydroxy-3-Methoxy-Phenyl)-(1E,6E)-1,6-Heptadiene-3,5-Dione
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1-(4-Hydroxy-3,5-Dimethoxyphenyl)-7-(4-Hydroxy-3-Methoxy-Phenyl)-(1E,6E)-1,6-Heptadiene-3,5-Dione
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)-(1e,6e)-1,6-heptadiene-3,5-dione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)-(1e,6e)-1,6-heptadiene-3,5-dione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)-(1e,6e)-1,6-heptadiene-3,5-dione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)-(1e,6e)-1,6-heptadiene-3,5-dione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001464
Tcmsp
MOL004290
Sym Map
SMIT06235
Tcmbank
TCMBANKIN014532
Etcm Ingredient
1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)-(1e,6e)-1,6-heptadiene-3,5-dione
Itcmdb Generated
ITX-INGREDIENT-29E6B24F4424
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
4.034.030036694.030037
Suppress
0
Molecule Weight
398.44
Molecular Weight
398.140
Molecular Weight
398.44
Molecular Formula
C22H22O7
Fda Maximum Daily Dose (Fdamdd)
0.574
Quantitative Estimate Of Drug Likeness（Qed）
0.493