Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 52348
- Core Entity Id
- 95359
- Source Entity Count
- 1
- Preferred Name
- quercetin-3-α-l-rhamnofuranoside
- Name En
- Quercetin 3-α-L-rhamnofuranoside
- Pubchem Id
- 78385433
- Smiles Canonical
- CC(O)C1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C1O
- Molecular Formula
- C21H20O11
- Molecular Weight
- 448.1000
- Inchikey
- OEKUVLQNKPXSOY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H20O11/c1-7(22)18-16(28)17(29)21(31-18)32-20-15(27)14-12(26)5-9(23)6-13(14)30-19(20)8-2-3-10(24)11(25)4-8/h2-7,16-18,21-26,28-29H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.4000
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 186.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Quercetin-3-α-L-rhamnofuranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
quercetin-3-α-l-rhamnofuranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN045045
Etcm Ingredient
Quercetin-3-α-L-rhamnofuranoside
Itcmdb Generated
ITX-INGREDIENT-1113874D9F87
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC(C1C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
Mol2 Path
/TCM_database/2007_3d_all/18379.mol2
Reference
6
Molecular Weight
448.100
Molecular Formula
C21H20O11
Molecular Formula
C21H20O11
Fda Maximum Daily Dose (Fdamdd)
0.028
Quantitative Estimate Of Drug Likeness（Qed）
0.275