Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1948
- Core Entity Id
- 5354
- Source Entity Count
- 1
- Preferred Name
- 2'-hydroxy-2,4',6'-trimethoxychalcone
- Name En
- Pubchem Id
- 637261
- Smiles Canonical
- COC1=CC=CC=C1C=CC(=O)C2=C(C=C(C=C2OC)OC)O
- Molecular Formula
- C18H18O5
- Molecular Weight
- 314.3370
- Inchikey
- KKTYCZKXENFEJP-CMDGGOBGSA-N
- Inchi
- InChI=1S/C18H18O5/c1-21-13-10-15(20)18(17(11-13)23-3)14(19)9-8-12-6-4-5-7-16(12)22-2/h4-11,20H,1-3H3/b9-8+
- Isomeric Smiles
- COC1=CC=CC=C1/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.3141
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.6540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2'-hydroxy-2,4',6'-trimethoxychalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2'-hydroxy-2,4',6'-trimethoxychalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2'-hydroxy-2,4',6'-trimethoxychalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2-Hydroxy-4.6-dimethoxy-phenyl)-3-(2-methoxyphenyl)-propenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2-Hydroxy-4.6-dimethoxy-phenyl)-3-(2-methoxyphenyl)-propenone
Role
alias
Source
HERB_v2
Preferred
No
Name
10021-15-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
10021-15-5
Role
alias
Source
HERB_v2
Preferred
No
Name
2-HYDROXY-2',4',6'-TRIMETHOXYCHALCONE
Role
alias
Source
HERB_v2
Preferred
No
Name
2-HYDROXY-2',4',6'-TRIMETHOXYCHALCONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-, (2E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-, (2E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL258497
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL258497
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5087999
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5087999
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one1-(2-Hydroxy-4.6-dimethoxy-phenyl)-3-(2-methoxyphenyl)-propenone10021-15-52-HYDROXY-2',4',6'-TRIMETHOXYCHALCONE2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-2-propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-, (2E)-CHEMBL258497SCHEMBL5087999
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005725
Npass
NPC175098
Tcmid
10784
Pub Chem
637261
Tcmbank
TCMBANKIN045513
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H18O5/c1-21-13-10-15(20)18(17(11-13)23-3)14(19)9-8-12-6-4-5-7-16(12)22-2/h4-11,20H,1-3H3/b9-8+
Mol Wt
314.337
Smiles
COC1=CC=CC=C1C=CC(=O)C2=C(C=C(C=C2OC)OC)O
Mol Log P
3.314100000000002
In Ch Ikey
KKTYCZKXENFEJP-CMDGGOBGSA-N
Mol2 Path
/TCM_database/2007_3d_all/10785.mol2
Reference
3390
Num Hdonors
1
Drug Likeness
0.654
Num Hacceptors
5
Isomeric Smiles
COC1=CC=CC=C1/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O
Canonical Smiles
COC1=CC=CC=C1C=CC(=O)C2=C(C=C(C=C2OC)OC)O
Herb Alias Names
10021-15-5(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one2-HYDROXY-2',4',6'-TRIMETHOXYCHALCONE1-(2-Hydroxy-4.6-dimethoxy-phenyl)-3-(2-methoxyphenyl)-propenone(2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-2-propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-, (2E)-CHEMBL258497SCHEMBL5087999
Molecular Weight
314.3 g/mol
Molecular Formula
C18H18O5
Molecular Formula
C18H18O5
Num Rotatable Bonds
6