IngredientID 346
2-(3,4-dihydroxy-2-((2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)phenyl)acetonitrile
C14H17NO8
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 346
- Core Entity Id
- 3284
- Source Entity Count
- 1
- Preferred Name
- 2-(3,4-dihydroxy-2-((2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)phenyl)acetonitrile
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C14H17NO8
- Molecular Weight
- 327.3200
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 22.6266
- 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
2-(3,4-Dihydroxy-2-((2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yloxy)Phenyl)Acetonitrile
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-(3,4-Dihydroxy-2-((2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yloxy)Phenyl)Acetonitrile
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-(3,4-dihydroxy-2-((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenyl)acetonitrile
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-(3,4-dihydroxy-2-((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenyl)acetonitrile
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(3,4-dihydroxy-2-((2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)phenyl)acetonitrile
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-(3,4-dihydroxy-2-((2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)phenyl)acetonitrile
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003868
Tcmsp
MOL011348
Sym Map
SMIT12267
Tcmbank
TCMBANKIN013272
Etcm Ingredient
2-(3,4-dihydroxy-2-((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenyl)acetonitrile
Itcmdb Generated
ITX-INGREDIENT-A8DD819EFD93
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
22.626636522.62663722.627
Suppress
0
Molecule Weight
327.32
Molecular Weight
327.100
Molecular Weight
327.32
Molecular Formula
C14H17NO8
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.355