Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 8Ingredient: 1Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7695
- Core Entity Id
- 11732
- Source Entity Count
- 1
- Preferred Name
- 6-hydroxykaempferol-7-o-glucoside
- Name En
- Pubchem Id
- 10434572
- Smiles Canonical
- C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
- Molecular Formula
- C21H20O12
- Molecular Weight
- 464.3790
- Inchikey
- IYEWEDZIDUAUTD-OALSLJFDSA-N
- Inchi
- InChI=1S/C21H20O12/c22-6-11-14(25)17(28)19(30)21(33-11)32-10-5-9-12(15(26)13(10)24)16(27)18(29)20(31-9)7-1-3-8(23)4-2-7/h1-5,11,14,17,19,21-26,28-30H,6H2/t11-,14-,17+,19-,21?/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O
- Cas Id
- Ob Score
- 2.8656
- 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-7-O-Glucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-Hydroxykaempferol-7-O-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-hydroxykaempferol-7-o-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-hydroxykaempferol-7-o-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,5,6-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,6-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,6-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,6-trihydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
6-hydroxykaempferol-7-o-glucoside
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,5,6-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one3,5,6-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one3,5,6-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone3,5,6-trihydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012449
Npass
NPC260951
Tcmid
10272
Tcmsp
MOL002756
Sym Map
SMIT04945SMIT15867
Pub Chem
10434572
Tcmbank
TCMBANKIN019108
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H20O12/c22-6-11-14(25)17(28)19(30)21(33-11)32-10-5-9-12(15(26)13(10)24)16(27)18(29)20(31-9)7-1-3-8(23)4-2-7/h1-5,11,14,17,19,21-26,28-30H,6H2/t11-,14-,17+,19-,21?/m1/s1
Mol Wt
464.3790000000001
Smiles
C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
Mol Log P
-0.5389000000000006
Version
v1,v2
In Ch Ikey
IYEWEDZIDUAUTD-OALSLJFDSA-N
Ob Score
2.8656028472.8656032.866
Suppress
1
Num Hdonors
8
Drug Likeness
0.229
Num Hacceptors
12
Isomeric Smiles
C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O
Molecule Weight
464.41
Canonical Smiles
C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
Molecular Weight
464.41
Molecule Formula
C21H20O12
Molecular Formula
C21H20O12
Num Rotatable Bonds
4
Link Ingredient Id
4945.0