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: 1Ingredient: 1Target: 18Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 153
- Core Entity Id
- 1496
- Source Entity Count
- 1
- Preferred Name
- 2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromone
- Name En
- Pubchem Id
- 688717
- Smiles Canonical
- COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=C(C=C(C=C3)OC)OC)O
- Molecular Formula
- C18H16O6
- Molecular Weight
- 328.3200
- Inchikey
- CPSQIOPVWINXFH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O6/c1-21-10-5-7-13(14(8-10)23-3)18-17(20)16(19)12-6-4-11(22-2)9-15(12)24-18/h4-9,20H,1-3H3
- Isomeric Smiles
- COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=C(C=C(C=C3)OC)OC)O
- Cas Id
- 263365-51-1
- Ob Score
- 12.9399
- Mol Logp
- 3.1914
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-(2,4-Dimethoxyphenyl)-3-Hydroxy-7-Methoxy-Chromone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-(2,4-Dimethoxyphenyl)-3-Hydroxy-7-Methoxy-Chromone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-(2,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(2,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxychromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
263365-51-1
Role
alias
Source
HERB_v2
Preferred
No
Name
263365-51-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-HYDROXY-7,2',4'-TRIMETHOXYFLAVONE
Role
alias
Source
HERB_v2
Preferred
No
Name
3-HYDROXY-7,2',4'-TRIMETHOXYFLAVONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hydroxy-2',4',7-trimethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxy-2',4',7-trimethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CPSQIOPVWINXFH-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
CPSQIOPVWINXFH-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70350968
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70350968
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD02093238
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD02093238
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4649979
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4649979
Role
alias
Source
itcmdb_public
Preferred
No
Name
ST056246
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00057755
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(2,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-4-chromenone2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxychromen-4-one263365-51-13-HYDROXY-7,2',4'-TRIMETHOXYFLAVONE3-Hydroxy-2',4',7-trimethoxyflavone4H-1-Benzopyran-4-one, 2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-CPSQIOPVWINXFH-UHFFFAOYSA-NDTXSID70350968MFCD02093238SCHEMBL4649979ST056246ZINC00057755
Cross References
Trusted external identifiers retained for this final record.
Cas
263365-51-1
Herb
HBIN003657
Tcmsp
MOL003098
Sym Map
SMIT05232
Pub Chem
688717
Tcmbank
TCMBANKIN013033
Etcm Ingredient
2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromone
Itcmdb Generated
ITX-INGREDIENT-E9FD5BA890C9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H16O6/c1-21-10-5-7-13(14(8-10)23-3)18-17(20)16(19)12-6-4-11(22-2)9-15(12)24-18/h4-9,20H,1-3H3
Mol Wt
328.3200000000001
Cas Id
263365-51-1
Smiles
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=C(C=C(C=C3)OC)OC)O
Mol Log P
3.191400000000002
Version
v1,v2
In Ch Ikey
CPSQIOPVWINXFH-UHFFFAOYSA-N
Ob Score
12.9398725912.93987312.94
Suppress
0
Num Hdonors
1
Drug Likeness
0.792
Num Hacceptors
6
Isomeric Smiles
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=C(C=C(C=C3)OC)OC)O
Molecule Weight
328.34
Canonical Smiles
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=C(C=C(C=C3)OC)OC)O
Herb Alias Names
263365-51-13-Hydroxy-2',4',7-trimethoxyflavone3-HYDROXY-7,2',4'-TRIMETHOXYFLAVONE2-(2,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxychromen-4-one4H-1-Benzopyran-4-one, 2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-SCHEMBL4649979DTXSID70350968CPSQIOPVWINXFH-UHFFFAOYSA-NMFCD02093238
Molecular Weight
328.090
Molecular Weight
328.32
Molecular Formula
C18H16O6
Molecular Formula
C18H16O6
Molecular Formula
C18H16O6
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.210
Quantitative Estimate Of Drug Likeness（Qed）
0.792