IngredientID 45285

5,6,4'-Trihydroxyflavone-7-O-β-D-galactonic acid

C21H18O12

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
45285
Core Entity Id
88296
Source Entity Count
1
Preferred Name
5,6,4'-Trihydroxyflavone-7-O-β-D-galactonic acid
Name En
Pubchem Id
Smiles Canonical
Molecular Formula
C21H18O12
Molecular Weight
462.0800
Inchikey
Inchi
Isomeric Smiles
Cas Id
Ob Score
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
5,6,4'-Trihydroxyflavone-7-O-β-D-galactonic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,6,4'-Trihydroxyflavone-7-O-β-D-galactonic acid
Role
preferred
Source
TCMBank
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Tcmbank
TCMBANKIN017944
Etcm Ingredient
5,6,4'-Trihydroxyflavone-7-O-β-D-galactonic acid
Itcmdb Generated
ITX-INGREDIENT-067F8E77759DITX-INGREDIENT-AF02E15AF975

Attributes

Merged source attributes and domain-specific metadata.

Tcm Name
灯盏细辛
Tcm Name2
DENG ZHAN XI XIN
Mol2 Path
/TCM_database/2007_3d_all/21735.mol2
Reference
785
Tcm Name En
Shortscape Fleabane
Molecular Weight
462.080
Molecular Formula
C21H18O12
Fda Maximum Daily Dose (Fdamdd)
0.003
Quantitative Estimate Of Drug Likeness(Qed)
0.253