Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1975
- Core Entity Id
- 5384
- Source Entity Count
- 1
- Preferred Name
- 2'-hydroxy-4,4'-dimethoxychalcone
- Name En
- Pubchem Id
- 5357488
- Smiles Canonical
- COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OC)O
- Molecular Formula
- C17H16O4
- Molecular Weight
- 284.3110
- Inchikey
- OAAPAFSEMHJNTF-BJMVGYQFSA-N
- Inchi
- InChI=1S/C17H16O4/c1-20-13-6-3-12(4-7-13)5-10-16(18)15-9-8-14(21-2)11-17(15)19/h3-11,19H,1-2H3/b10-5+
- Isomeric Smiles
- COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.3055
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2'- hydroxy- 4, 4'- dimethoxychalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2'-hydroxy-4,4'-dimethoxychalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2'-hydroxy-4,4'-dimethoxychalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2198-19-8
Role
alias
Source
HERB_v2
Preferred
No
Name
2198-19-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4'-dimethoxy-2'-hydroxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
4,4'-dimethoxy-2'-hydroxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL229907
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL229907
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoliquiritigenin 4,4'-dimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isoliquiritigenin 4,4'-dimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000438960
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS000438960
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC78638
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC78638
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2'- hydroxy- 4, 4'- dimethoxychalcone(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one2198-19-84,4'-dimethoxy-2'-hydroxychalconeCHEMBL229907Isoliquiritigenin 4,4'-dimethyl etherMLS000438960NSC78638
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005754
Npass
NPC139813
Tcmid
40977
Pub Chem
5357488
Tcmbank
TCMBANKIN030428
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O4/c1-20-13-6-3-12(4-7-13)5-10-16(18)15-9-8-14(21-2)11-17(15)19/h3-11,19H,1-2H3/b10-5+
Mol Wt
284.311
Smiles
COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OC)O
Mol Log P
3.305500000000003
In Ch Ikey
OAAPAFSEMHJNTF-BJMVGYQFSA-N
Num Hdonors
1
Drug Likeness
0.676
Num Hacceptors
4
Isomeric Smiles
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)O
Canonical Smiles
COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OC)O
Herb Alias Names
2198-19-81-(2-Hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-oneIsoliquiritigenin 4,4'-dimethyl etherCHEMBL2299074,4'-dimethoxy-2'-hydroxychalconeNSC78638MLS000438960
Molecular Weight
284.31 g/mol
Molecular Formula
C17H16O4
Molecular Formula
C17H16O4
Num Rotatable Bonds
5