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
- 31280
- Core Entity Id
- 37955
- Source Entity Count
- 1
- Preferred Name
- Quercetin-3-alpha-l-rhamnofuranoside
- Name En
- Pubchem Id
- 72193640
- Smiles Canonical
- CC(C1C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
- Molecular Formula
- C21H20O11
- Molecular Weight
- 448.3800
- Inchikey
- OEKUVLQNKPXSOY-ROIIDRTLSA-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/t7-,16-,17+,18-,21+/m0/s1
- Isomeric Smiles
- C[C@@H]([C@H]1[C@H]([C@H]([C@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.4887
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Quercetin-3-alpha-l-rhamnofuranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Quercetin-3-alpha-l-rhamnofuranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-beta-L-mannofuranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-beta-L-mannofuranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-L-rhamnofuranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-L-rhamnofuranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:76041
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:76041
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27145696
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27145696
Role
alias
Source
itcmdb_public
Preferred
No
Name
quercetin 3-O-beta-L-rhamnofuranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
quercetin 3-O-beta-L-rhamnofuranoside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-beta-L-mannofuranoside2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-L-rhamnofuranosideCHEBI:76041Q27145696quercetin 3-O-beta-L-rhamnofuranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041521
Tcmid
18364
Pub Chem
72193640
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
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/t7-,16-,17+,18-,21+/m0/s1
Mol Wt
448.3800000000001
Mol Log P
0.4887000000000004
In Ch Ikey
OEKUVLQNKPXSOY-ROIIDRTLSA-N
Num Hdonors
7
Drug Likeness
0.275
Num Hacceptors
11
Isomeric Smiles
C[C@@H]([C@H]1[C@H]([C@H]([C@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
Canonical 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
Herb Alias Names
quercetin 3-O-beta-L-rhamnofuranosideCHEBI:76041Q271456962-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-L-rhamnofuranoside2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-beta-L-mannofuranoside
Molecular Formula
C21H20O11
Num Rotatable Bonds
4