Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3555
- Core Entity Id
- 7138
- Source Entity Count
- 1
- Preferred Name
- 3,5-dihydroxy-4',7-dimethoxyflavone
- Name En
- Pubchem Id
- 5378823
- Smiles Canonical
- COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O
- Molecular Formula
- C17H14O6
- Molecular Weight
- 314.2930
- Inchikey
- KZBAXKKOXPLOBX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3
- Isomeric Smiles
- COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O
- Cas Id
- 15486-33-6
- Ob Score
- 12.5220
- Mol Logp
- 2.8884
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3',5-Dihydroxy-4',7-dimethoxyflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,5-Dihydroxy-4',7-Dimethoxyflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,5-dihydroxy-4',7-dimethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,5-dihydroxy-4',7-dimethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
15486-33-6
Role
alias
Source
HERB_v2
Preferred
No
Name
15486-33-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5-Dihydroxy-7,4'-dimethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-Dihydroxy-7,4'-dimethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,4'-dimethylkaempferol
Role
alias
Source
HERB_v2
Preferred
No
Name
7,4'-dimethylkaempferol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kaempferol 7,4'-dimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Y4D3RA49HD
Role
alias
Source
HERB_v2
Preferred
No
Name
Y4D3RA49HD
Role
alias
Source
itcmdb_public
Preferred
No
Name
kaempferol 4',7-dimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
kaempferol 4',7-dimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
kaempferol-7,4'-dimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3',5-Dihydroxy-4',7-dimethoxyflavone15486-33-63,5-Dihydroxy-7,4'-dimethoxyflavone3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one7,4'-dimethylkaempferolKaempferol 7,4'-dimethyl etherY4D3RA49HDkaempferol 4',7-dimethyl etherkaempferol-7,4'-dimethyl ether
Cross References
Trusted external identifiers retained for this final record.
Cas
15486-33-6
Herb
HBIN007618HBIN031948
Npass
NPC247524
Tcmid
12042
Tcmsp
MOL005908
Sym Map
SMIT07601
Pub Chem
5378823
Tcmbank
TCMBANKIN061826
Etcm Ingredient
3',5-Dihydroxy-4',7-dimethoxyflavone
Itcmdb Generated
ITX-INGREDIENT-CDA9D85B1A92
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3
Mol Wt
314.293
Cas Id
15486-33-6
Smiles
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O
Mol Log P
2.888400000000003
Version
v1,v2
In Ch Ikey
KZBAXKKOXPLOBX-UHFFFAOYSA-N
Ob Score
12.52212.52218166
Suppress
0
Num Hdonors
2
Drug Likeness
0.772
Num Hacceptors
6
Isomeric Smiles
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O
Molecule Weight
314.31
Canonical Smiles
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O
Herb Alias Names
15486-33-63,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-oneKaempferol 7,4'-dimethyl ether3,5-Dihydroxy-7,4'-dimethoxyflavonekaempferol-7,4'-dimethyl ether3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one7,4'-dimethylkaempferolkaempferol 4',7-dimethyl etherY4D3RA49HD
Molecular Weight
314.080
Molecular Weight
314.29 g/mol
Molecular Formula
C17H14O6
Molecular Formula
C17H14O6
Molecular Formula
C17H14O6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.638
Quantitative Estimate Of Drug Likeness（Qed）
0.772