Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 14Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3046
- Core Entity Id
- 6575
- Source Entity Count
- 1
- Preferred Name
- 3,2',4',6'-tetrahydroxy-4,3'-dimethoxy chalcone
- Name En
- Pubchem Id
- 20980941
- Smiles Canonical
- COC1=C(C=C(C=C1)C=CC(=O)C2=C(C(=C(C=C2O)O)OC)O)O
- Molecular Formula
- C17H16O7
- Molecular Weight
- 332.3080
- Inchikey
- GYEZIQDCZWTBTP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O7/c1-23-14-6-4-9(7-11(14)19)3-5-10(18)15-12(20)8-13(21)17(24-2)16(15)22/h3-8,19-22H,1-2H3
- Isomeric Smiles
- COC1=C(C=C(C=C1)C=CC(=O)C2=C(C(=C(C=C2O)O)OC)O)O
- Cas Id
- Ob Score
- 52.6926
- Mol Logp
- 2.4223
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,2',4',6'-Tetrahydroxy-4,3'-Dimethoxy Chalcone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,2',4',6'-Tetrahydroxy-4,3'-dimethoxy chalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,2',4',6'-Tetrahydroxy-4,3'-dimethoxy chalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,2',4',6'-tetrahydroxy-4,3'-dimethoxy chalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,2',4',6'-tetrahydroxy-4,3'-dimethoxy chalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(E)-3-(3-hydroxy-4-methoxy-phenyl)-1-(2,4,6-trihydroxy-3-methoxy-phenyl)prop-2-en-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
3,2',4',6'-tetrahydroxy-4,3'-dimethoxy chalcone
Role
alias
Source
TCMBank
Preferred
No
Name
3-(3-hydroxy-4-methoxy-phenyl)-1-(2,4,6-trihydroxy-3-methoxy-phenyl)prop-2-en-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NT0WJ
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-3-(3-hydroxy-4-methoxy-phenyl)-1-(2,4,6-trihydroxy-3-methoxy-phenyl)prop-2-en-1-one3-(3-hydroxy-4-methoxy-phenyl)-1-(2,4,6-trihydroxy-3-methoxy-phenyl)prop-2-en-1-oneAC1NT0WJ
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007016
Tcmid
21077
Tcmsp
MOL004114
Sym Map
SMIT00904
Pub Chem
20980941
Tcmbank
TCMBANKIN011603
Etcm Ingredient
3,2',4',6'-Tetrahydroxy-4,3'-dimethoxy chalcone
Itcmdb Generated
ITX-INGREDIENT-3D49F27C5A70
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H16O7/c1-23-14-6-4-9(7-11(14)19)3-5-10(18)15-12(20)8-13(21)17(24-2)16(15)22/h3-8,19-22H,1-2H3
Mol Wt
332.308
Smiles
COC1=C(C=C(C=C1)C=CC(=O)C2=C(C(=C(C=C2O)O)OC)O)O
Mol Log P
2.422300000000003
Version
v1,v2
In Ch Ikey
GYEZIQDCZWTBTP-UHFFFAOYSA-N
Ob Score
52.69264552.6926450952.693
Suppress
0
Num Hdonors
4
Drug Likeness
0.491
Num Hacceptors
7
Isomeric Smiles
COC1=C(C=C(C=C1)C=CC(=O)C2=C(C(=C(C=C2O)O)OC)O)O
Molecule Weight
332.33
Canonical Smiles
COC1=C(C=C(C=C1)C=CC(=O)C2=C(C(=C(C=C2O)O)OC)O)O
Molecular Weight
332.090
Molecular Weight
332.3 g/mol
Molecule Formula
C17H16O7
Molecular Formula
C17H16O7
Molecular Formula
C17H16O7
Molecular Formula
C17H16O7
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.811
Quantitative Estimate Of Drug Likeness（Qed）
0.491