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: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65148
- Core Entity Id
- 127797
- Source Entity Count
- 1
- Preferred Name
- (+)-catechin-6-c-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 21626712
- Smiles Canonical
- C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(C(C(O3)CO)O)O)O)O)C4=CC(=C(C=C4)O)O)O
- Molecular Formula
- C13H18O8
- Molecular Weight
- 302.1000
- Inchikey
- PWMSPKVTJLJDDS-CPKJHJHWSA-N
- Inchi
- InChI=1S/C21H24O11/c22-6-14-17(28)18(29)19(30)21(32-14)15-11(25)5-13-8(16(15)27)4-12(26)20(31-13)7-1-2-9(23)10(24)3-7/h1-3,5,12,14,17-30H,4,6H2/t12-,14+,17+,18-,19+,20+,21-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.0000
- Num H Donors
- 9
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 201.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-catechin-6-c-beta-d-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(+)-catechin-6-c-beta-d-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-B92480196982
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
302.100
Molecular Formula
C13H18O8
Fda Maximum Daily Dose (Fdamdd)
0.012
Quantitative Estimate Of Drug Likeness（Qed）
0.458