Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3212
- Core Entity Id
- 6756
- Source Entity Count
- 1
- Preferred Name
- 3,4,3',4'-tetrahydroxy-2-methoxychalcone
- Name En
- Pubchem Id
- 6478421
- Smiles Canonical
- COC1=C(C=CC(=C1O)O)C=CC(=O)C2=CC(=C(C=C2)O)O
- Molecular Formula
- C16H14O6
- Molecular Weight
- 302.2820
- Inchikey
- BICPGUILWBQAEY-GORDUTHDSA-N
- Inchi
- InChI=1S/C16H14O6/c1-22-16-9(3-7-13(19)15(16)21)2-5-11(17)10-4-6-12(18)14(20)8-10/h2-8,18-21H,1H3/b5-2+
- Isomeric Smiles
- COC1=C(C=CC(=C1O)O)/C=C/C(=O)C2=CC(=C(C=C2)O)O
- Cas Id
- Ob Score
- 1.3258
- Mol Logp
- 2.4137
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,4,3',4'-Tetrahydroxy-2-Methoxychalcone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3,4,3',4'-Tetrahydroxy-2-Methoxychalcone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,4,3',4'-Tetrahydroxy-2-methoxychalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,4,3',4'-Tetrahydroxy-2-methoxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,4,3',4'-tetrahydroxy-2-methoxychalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,4,3',4'-tetrahydroxy-2-methoxychalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(3,4-dihydroxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(3,4-dihydroxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
197227-39-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
197227-39-7
Role
alias
Source
HERB_v2
Preferred
No
Name
3,3',4,4'-Tetrahydroxy 2-methoxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,3',4,4'-Tetrahydroxy-2-methoxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:174884
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:174884
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3099519
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3099519
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID301140078
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID301140078
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL23920664
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL23920664
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tetrahydroxymethoxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
Tetrahydroxymethoxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(3,4-dihydroxyphenyl)prop-2-en-1-one197227-39-73,3',4,4'-Tetrahydroxy 2-methoxychalcone3,3',4,4'-Tetrahydroxy-2-methoxychalconeCHEBI:174884CHEMBL3099519DTXSID301140078SCHEMBL23920664Tetrahydroxymethoxychalcone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007212
Npass
NPC312256
Tcmsp
MOL004968
Sym Map
SMIT06797
Pub Chem
6478421
Tcmbank
TCMBANKIN035868
Etcm Ingredient
3,4,3',4'-Tetrahydroxy-2-methoxychalcone
Itcmdb Generated
ITX-INGREDIENT-4E676F06A9BA
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H14O6/c1-22-16-9(3-7-13(19)15(16)21)2-5-11(17)10-4-6-12(18)14(20)8-10/h2-8,18-21H,1H3/b5-2+
Mol Wt
302.282
Smiles
COC1=C(C=CC(=C1O)O)C=CC(=O)C2=CC(=C(C=C2)O)O
Mol Log P
2.413700000000002
Version
v1,v2
In Ch Ikey
BICPGUILWBQAEY-GORDUTHDSA-N
Ob Score
1.3258031.3258030081.326
Suppress
0
Num Hdonors
4
Drug Likeness
0.392
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=CC(=C1O)O)/C=C/C(=O)C2=CC(=C(C=C2)O)O
Molecule Weight
288.32
Canonical Smiles
COC1=C(C=CC(=C1O)O)C=CC(=O)C2=CC(=C(C=C2)O)O
Herb Alias Names
197227-39-7Tetrahydroxymethoxychalcone3,3',4,4'-Tetrahydroxy-2-methoxychalcone3,3',4,4'-Tetrahydroxy 2-methoxychalcone(E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(3,4-dihydroxyphenyl)prop-2-en-1-oneCHEMBL3099519SCHEMBL23920664CHEBI:174884DTXSID301140078
Molecular Weight
302.080
Molecular Weight
302.28 g/mol
Molecular Formula
C16H14O6
Molecular Formula
C16H14O6
Molecular Formula
C16H14O6
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.279
Quantitative Estimate Of Drug Likeness（Qed）
0.392