Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6492
- Core Entity Id
- 10393
- Source Entity Count
- 1
- Preferred Name
- 5,3'-dihydroxy-7,4'-dimethoxyflavone
- Name En
- Pubchem Id
- 5320496
- Smiles Canonical
- COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)O
- Molecular Formula
- C17H14O6
- Molecular Weight
- 314.2930
- Inchikey
- UDBHJDTXPDRDNS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-8,18-19H,1-2H3
- Isomeric Smiles
- COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)O
- Cas Id
- Ob Score
- 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
5,3'-dihydroxy-7,4'-dimethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,3'-dihydroxy-7,4'-dimethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,3'-dihydroxy-7,4'-dimethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3',5-Dihydroxy-4',7-dimethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
3',5-Dihydroxy-4',7-dimethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
32174-62-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
32174-62-2
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 5-hydroxy-2- (3-hydroxy-4-methoxyphenyl)-7-meth oxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Luteolin 7,4'-dimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Luteolin 7,4'-dimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-195196
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-195196
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pilloin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pilloin
Role
alias
Source
HERB_v2
Preferred
No
Name
Luteolin-7,4′-Dimethyl Ether
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
luteolin-7,4′-dimethyl ether
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
3',5-Dihydroxy-4',7-dimethoxyflavone32174-62-24H-1-Benzopyran-4-one, 5-hydroxy-2- (3-hydroxy-4-methoxyphenyl)-7-meth oxy-4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-chromen-4-one5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-oneLuteolin 7,4'-dimethyl etherNSC-195196PilloinLuteolin-7,4′-Dimethyl Ether
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011023HBIN033822
Npass
NPC223579
Tcmid
409675828
Sym Map
SMIT25143
Pub Chem
5320496
Tcmbank
TCMBANKIN039931TCMBANKIN061490
Itcmdb Generated
ITX-INGREDIENT-3658EB2252E8
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H14O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-8,18-19H,1-2H3
Mol Wt
314.293
Smiles
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)O
Mol Log P
2.888400000000003
Version
v2
In Ch Ikey
UDBHJDTXPDRDNS-UHFFFAOYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/05829.mol2
Reference
1521
Num Hdonors
2
Drug Likeness
0.772
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)O
Canonical Smiles
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)O
Herb Alias Names
Pilloin32174-62-25-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-oneLuteolin 7,4'-dimethyl ether3',5-Dihydroxy-4',7-dimethoxyflavone4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-NSC-1951964H-1-Benzopyran-4-one, 5-hydroxy-2- (3-hydroxy-4-methoxyphenyl)-7-meth oxy-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-chromen-4-one
Molecular Weight
314.29 g/mol
Molecular Formula
C17H14O6
Molecular Formula
C17H14O6
Num Rotatable Bonds
3