IngredientID 38576
1-(4-hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxypheny)-1,6-heptadiene-3,5-dione
C20H18O6
Relationship Network
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Ingredient: 1Target: 23Links: 23
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38576
- Core Entity Id
- 66002
- Source Entity Count
- 1
- Preferred Name
- 1-(4-hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxypheny)-1,6-heptadiene-3,5-dione
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C20H18O6
- Molecular Weight
- 354.3800
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 1.9810
- 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-Methoxyphenyl)-7-(3,4-Dihydroxypheny)-1,6-Heptadiene-3,5-Dione
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1-(4-Hydroxy-3-Methoxyphenyl)-7-(3,4-Dihydroxypheny)-1,6-Heptadiene-3,5-Dione
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxypheny)-1,6-heptadiene-3,5-dione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxypheny)-1,6-heptadiene-3,5-dione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-(4-hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxypheny)-1,6-heptadiene-3,5-dione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-(4-hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxypheny)-1,6-heptadiene-3,5-dione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001483
Tcmsp
MOL004295
Sym Map
SMIT06239
Tcmbank
TCMBANKIN018044
Etcm Ingredient
1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxypheny)-1,6-heptadiene-3,5-dione
Itcmdb Generated
ITX-INGREDIENT-EE9AD39BED61
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
1.9811.9810251.9810252
Suppress
0
Molecule Weight
354.38
Molecular Weight
354.110
Molecular Weight
354.38
Molecular Formula
C20H18O6
Fda Maximum Daily Dose (Fdamdd)
0.658
Quantitative Estimate Of Drug Likeness（Qed）
0.401