Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7645
- Core Entity Id
- 11679
- Source Entity Count
- 1
- Preferred Name
- 6-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxy-chromone
- Name En
- Pubchem Id
- 252471
- Smiles Canonical
- COC1=C(C(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)OC)O
- Molecular Formula
- C17H14O6
- Molecular Weight
- 314.2930
- Inchikey
- KVSCSPAYYVSPTI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O6/c1-21-13-7-12-14(17(22-2)16(13)20)15(19)11(8-23-12)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
- Isomeric Smiles
- COC1=C(C(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)OC)O
- Cas Id
- 479-83-4
- Ob Score
- 12.9229
- 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
6-Hydroxy-3-(4-Hydroxyphenyl)-5,7-Dimethoxy-Chromone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
6-Hydroxy-3-(4-Hydroxyphenyl)-5,7-Dimethoxy-Chromone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxy-chromone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxy-chromone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxy-chromone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxy-chromone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4',6-Dihydroxy-5,7-dimethoxyisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
4',6-Dihydroxy-5,7-dimethoxyisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
479-83-4
Role
alias
Source
HERB_v2
Preferred
No
Name
479-83-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
479-83-4
Role
alias
Source
TCMBank
Preferred
No
Name
6,4'-Dihydroxy-5,7-dimethoxyisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,4'-Dihydroxy-5,7-dimethoxyisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
6-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxy-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
6-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxy-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxy-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxychromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_002669
Role
alias
Source
HERB_v2
Preferred
No
Name
BSPBio_002669
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_002669
Role
alias
Source
itcmdb_public
Preferred
No
Name
KBio3_002169
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_002557
Role
alias
Source
TCMBank
Preferred
No
Name
Muningin
Role
alias
Source
HERB_v2
Preferred
No
Name
Muningin
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-74436
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-74436
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC74436
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_001145
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum3_001145
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_001145
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spectrum4_001995
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum4_001995
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum4_001995
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4',6-Dihydroxy-5,7-dimethoxyisoflavone479-83-46,4'-Dihydroxy-5,7-dimethoxyisoflavone6-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxy-4-chromenone6-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxy-4H-chromen-4-one6-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxychromen-4-oneBSPBio_002669KBio3_002169KBioGR_002557MuninginNSC-74436NSC74436Spectrum3_001145Spectrum4_001995
Cross References
Trusted external identifiers retained for this final record.
Cas
479-83-4
Herb
HBIN012396
Tcmsp
MOL003764
Sym Map
SMIT05787
Pub Chem
252471
Tcmbank
TCMBANKIN015520
Etcm Ingredient
6-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxy-chromone
Itcmdb Generated
ITX-INGREDIENT-4630DBDAA26D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H14O6/c1-21-13-7-12-14(17(22-2)16(13)20)15(19)11(8-23-12)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
Mol Wt
314.293
Cas Id
479-83-4
Smiles
COC1=C(C(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)OC)O
Mol Log P
2.888400000000003
Version
v1,v2
In Ch Ikey
KVSCSPAYYVSPTI-UHFFFAOYSA-N
Ob Score
12.922912.9229004912.923
Suppress
0
Num Hdonors
2
Drug Likeness
0.772
Num Hacceptors
6
Isomeric Smiles
COC1=C(C(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)OC)O
Molecule Weight
314.31
Canonical Smiles
COC1=C(C(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)OC)O
Herb Alias Names
Muningin479-83-46-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxy-4H-chromen-4-oneNSC-744366,4'-Dihydroxy-5,7-dimethoxyisoflavoneNSC744364',6-Dihydroxy-5,7-dimethoxyisoflavoneSpectrum3_001145Spectrum4_001995BSPBio_002669
Molecular Weight
314.080
Molecular Weight
314.29
Molecular Formula
C17H14O6
Molecular Formula
C17H14O6
Molecular Formula
C17H14O6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.051
Quantitative Estimate Of Drug Likeness（Qed）
0.772