Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8370
- Core Entity Id
- 12473
- Source Entity Count
- 1
- Preferred Name
- 7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-chromone
- Name En
- Pubchem Id
- 10470863
- Smiles Canonical
- COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)O
- Molecular Formula
- C17H14O6
- Molecular Weight
- 314.2930
- Inchikey
- XMCNEMKKAQGVGK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O6/c1-21-12-7-11(19)8-13-14(12)15(20)17(22-2)16(23-13)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3
- Isomeric Smiles
- COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)O
- Cas Id
- Ob Score
- 22.7620
- 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
7-Hydroxy-2-(4-Hydroxyphenyl)-3,5-Dimethoxy-Chromone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-chromone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-chromone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-chromone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1486-65-3
Role
alias
Source
HERB_v2
Preferred
No
Name
1486-65-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,4'-Dihydroxy-3,5-dimethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
7,4'-Dihydroxy-3,5-dimethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10440519
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10440519
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kaempferol 3,5-dimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Kaempferol 3,5-dimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12112689
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12112689
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL15635428
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL15635428
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1486-65-34H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-7,4'-Dihydroxy-3,5-dimethoxyflavone7-Hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-4H-chromen-4-one7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-4-chromenone7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-chromen-4-one7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxychromen-4-oneDTXSID10440519Kaempferol 3,5-dimethyl etherLMPK12112689SCHEMBL15635428
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013210
Tcmid
12041
Tcmsp
MOL009773
Sym Map
SMIT10857
Pub Chem
10470863
Tcmbank
TCMBANKIN010345
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H14O6/c1-21-12-7-11(19)8-13-14(12)15(20)17(22-2)16(23-13)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3
Mol Wt
314.293
Mol Log P
2.888400000000002
Version
v1,v2
In Ch Ikey
XMCNEMKKAQGVGK-UHFFFAOYSA-N
Ob Score
22.76197822.7619780422.762
Suppress
0
Num Hdonors
2
Drug Likeness
0.772
Num Hacceptors
6
Isomeric Smiles
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)O
Molecule Weight
314.31
Canonical Smiles
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)O
Herb Alias Names
1486-65-3Kaempferol 3,5-dimethyl ether4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-7,4'-Dihydroxy-3,5-dimethoxyflavone7-Hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-4H-chromen-4-one4h-1-benzopyran-4-one,7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-SCHEMBL156354287-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxychromen-4-oneDTXSID10440519LMPK12112689
Molecular Weight
314.31
Molecular Formula
C17H14O6
Num Rotatable Bonds
3