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: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6584
- Core Entity Id
- 10496
- Source Entity Count
- 1
- Preferred Name
- 5,6-dihydroxy-2,7,3',4'-tetramethoxyflavonol
- Name En
- Pubchem Id
- 14376225
- Smiles Canonical
- COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)OC
- Molecular Formula
- C19H18O8
- Molecular Weight
- 374.3450
- Inchikey
- DXEKSOHHLFZGKA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H18O8/c1-23-10-6-5-9(7-11(10)24-2)18-19(26-4)17(22)14-12(27-18)8-13(25-3)15(20)16(14)21/h5-8,20-21H,1-4H3
- Isomeric Smiles
- COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)OC
- Cas Id
- Ob Score
- 3.9860
- Mol Logp
- 2.9056
- Num H Donors
- 2
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,6-Dihydroxy-2,7,3',4'-Tetramethoxyflavonol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5,6-dihydroxy-2,7,3',4'-tetramethoxyflavonol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,6-dihydroxy-2,7,3',4'-tetramethoxyflavonol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,6-dihydroxy-2,7,3',4'-tetramethoxyflavonol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,6-dihydroxy-2,7,3',4'-tetramethoxyflavonol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,6-Dihydroxy-3,3',4',7-tetramethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6-Dihydroxy-3,3',4',7-tetramethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6-dihydroxy-3,7,3',4'-tetramethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6-dihydroxy-3,7,3',4'-tetramethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
63296-15-1
Role
alias
Source
HERB_v2
Preferred
No
Name
63296-15-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040762739
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040762739
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12113012
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12113012
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quercetagetin 3,7,3',4'-tetramethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Quercetagetin 3,7,3',4'-tetramethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5,6-Dihydroxy-3,3',4',7-tetramethoxyflavone5,6-dihydroxy-3,7,3',4'-tetramethoxyflavone63296-15-1AKOS040762739LMPK12113012Quercetagetin 3,7,3',4'-tetramethyl ether
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011135HBIN011136
Tcmid
42125
Tcmsp
MOL010434
Sym Map
SMIT11485
Pub Chem
14376225
Tcmbank
TCMBANKIN016575TCMBANKIN016543
Etcm Ingredient
5,6-dihydroxy-2,7,3',4'-tetramethoxyflavonol
Itcmdb Generated
ITX-INGREDIENT-17EA194783C3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H18O8/c1-23-10-6-5-9(7-11(10)24-2)18-19(26-4)17(22)14-12(27-18)8-13(25-3)15(20)16(14)21/h5-8,20-21H,1-4H3
Mol Wt
374.3450000000001
Smiles
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)OC
Mol Log P
2.905600000000002
Version
v1,v2
In Ch Ikey
DXEKSOHHLFZGKA-UHFFFAOYSA-N
Ob Score
3.9863.9862083.9862084
Suppress
0
Num Hdonors
2
Drug Likeness
0.657
Num Hacceptors
8
Isomeric Smiles
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)OC
Molecule Weight
374.37
Canonical Smiles
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)OC
Herb Alias Names
Quercetagetin 3,7,3',4'-tetramethyl ether5,6-dihydroxy-3,7,3',4'-tetramethoxyflavone63296-15-15,6-Dihydroxy-3,3',4',7-tetramethoxyflavoneLMPK12113012AKOS040762739
Molecular Weight
374.100
Molecular Weight
374.37
Molecular Formula
C19H18O8
Molecular Formula
C19H18O8
Molecular Formula
C19H18O8
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.077
Quantitative Estimate Of Drug Likeness（Qed）
0.657