Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7692
- Core Entity Id
- 11729
- Source Entity Count
- 1
- Preferred Name
- 6-hydroxykaempferol-3-o-glucoside
- Name En
- Pubchem Id
- 25017112
- Smiles Canonical
- C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
- Molecular Formula
- C21H20O12
- Molecular Weight
- 464.3790
- Inchikey
- DIYGQKBUNSAYQA-AWULYWAKSA-N
- Inchi
- InChI=1S/C21H20O12/c22-6-11-14(26)17(29)18(30)21(32-11)33-20-16(28)12-10(5-9(24)13(25)15(12)27)31-19(20)7-1-3-8(23)4-2-7/h1-5,11,14,17-18,21-27,29-30H,6H2/t11-,14-,17+,18-,21-/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
- Cas Id
- Ob Score
- 1.9680
- Mol Logp
- -0.5389
- Num H Donors
- 8
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Hydroxykaempferol-3-O-Glucoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
6-Hydroxykaempferol-3-O-Glucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-hydroxykaempferol-3-O-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-hydroxykaempferol-3-O-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-hydroxykaempferol-3-o-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-hydroxykaempferol-3-o-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012446
Tcmsp
MOL002753
Sym Map
SMIT04942
Pub Chem
25017112
Tcmbank
TCMBANKIN011830
Etcm Ingredient
6-hydroxykaempferol-3-O-glucoside
Itcmdb Generated
ITX-INGREDIENT-7824F44634D7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H20O12/c22-6-11-14(26)17(29)18(30)21(32-11)33-20-16(28)12-10(5-9(24)13(25)15(12)27)31-19(20)7-1-3-8(23)4-2-7/h1-5,11,14,17-18,21-27,29-30H,6H2/t11-,14-,17+,18-,21-/m1/s1
Mol Wt
464.3790000000001
Mol Log P
-0.5388999999999999
Version
v1,v2
In Ch Ikey
DIYGQKBUNSAYQA-AWULYWAKSA-N
Ob Score
1.9681.9680491.968049421
Suppress
0
Num Hdonors
8
Drug Likeness
0.229
Num Hacceptors
12
Isomeric Smiles
C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Molecule Weight
464.41
Canonical Smiles
C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
Molecular Weight
464.100
Molecular Weight
464.41
Molecular Formula
C21H20O12
Molecular Formula
C21H20O12
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.007
Quantitative Estimate Of Drug Likeness（Qed）
0.229