IngredientID 2596
(2r,3s,4s,5r,6s)-2-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-3-yl 3,4,5-trihydroxybenzoate
C28H24O15
Relationship Network
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Herb: 1Ingredient: 1Target: 2Links: 5
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2596
- Core Entity Id
- 6074
- Source Entity Count
- 1
- Preferred Name
- (2r,3s,4s,5r,6s)-2-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-3-yl 3,4,5-trihydroxybenzoate
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C28H24O15
- Molecular Weight
- 600.5200
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 2.9990
- 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
(2R,3S,4S,5R,6S)-2-((5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-3-Yl)Oxy)-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-3-Yl 3,4,5-Trihydroxybenzoate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2R,3S,4S,5R,6S)-2-((5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-3-Yl)Oxy)-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-3-Yl 3,4,5-Trihydroxybenzoate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R,3S,4S,5R,6S)-2-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2R,3S,4S,5R,6S)-2-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2r,3s,4s,5r,6s)-2-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-3-yl 3,4,5-trihydroxybenzoate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2r,3s,4s,5r,6s)-2-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-3-yl 3,4,5-trihydroxybenzoate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006488
Tcmsp
MOL006329
Sym Map
SMIT07971
Tcmbank
TCMBANKIN014205
Etcm Ingredient
(2R,3S,4S,5R,6S)-2-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate
Itcmdb Generated
ITX-INGREDIENT-B350C2628FDB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
2.9992.999392.99939042
Suppress
0
Molecule Weight
600.52
Molecular Weight
600.110
Molecular Weight
600.52
Molecular Formula
C28H24O15
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.109