Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64589
- Core Entity Id
- 111607
- Source Entity Count
- 1
- Preferred Name
- Puerarin 6''-O-Xyloside
- Name En
- Pubchem Id
- 100990912
- Smiles Canonical
- C1C(C(C(C(O1)OCC2C(C(C(C(O2)C3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
- Molecular Formula
- C26H28O13
- Molecular Weight
- 548.1500
- Inchikey
- YCFQXQCEEPCZMO-KATYHMCLSA-N
- Inchi
- InChI=1S/C26H28O13/c27-11-3-1-10(2-4-11)13-7-36-24-12(18(13)30)5-6-14(28)17(24)25-22(34)21(33)20(32)16(39-25)9-38-26-23(35)19(31)15(29)8-37-26/h1-7,15-16,19-23,25-29,31-35H,8-9H2/t15-,16-,19+,20-,21+,22-,23-,25+,26+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.1000
- Num H Donors
- 8
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 216.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Puerarin 6''-O-Xyloside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
puerarin 6''-O-xyloside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26337
Etcm Ingredient
puerarin 6''-O-xyloside
Itcmdb Generated
ITX-INGREDIENT-2A6DD9077BD1
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecular Weight
548.150
Molecule Formula
C26H28O13
Molecular Formula
C26H28O13
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.189