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: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14134
- Core Entity Id
- 18879
- Source Entity Count
- 1
- Preferred Name
- Chalcone,2',4'-dihydroxy-
- Name En
- Pubchem Id
- 5376979
- Smiles Canonical
- C1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)O)O
- Molecular Formula
- C15H12O3
- Molecular Weight
- 240.2580
- Inchikey
- JUMSUVHHUVPSOY-RMKNXTFCSA-N
- Inchi
- InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
- Isomeric Smiles
- C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O
- Cas Id
- 25515-43-9
- Ob Score
- 3.0600
- Mol Logp
- 2.9939
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chalcone, 2',4'-Dihydroxy-
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Chalcone,2',4'-dihydroxy-
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chalcone,2',4'-dihydroxy-
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2,4-Dihydroxyphenyl)-3-phenyl-2-propen-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2,4-Dihydroxyphenyl)-3-phenyl-2-propen-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1776-30-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
1776-30-3
Role
alias
Source
HERB_v2
Preferred
No
Name
2',4'-Dihydroxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2',4'-Dihydroxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
2',4'-dihydroxylchalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2',4'-dihydroxylchalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
25515-43-9
Role
alias
Source
HERB_v2
Preferred
No
Name
25515-43-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHALCONE, 2',4'-DIHYDROXY-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHALCONE, 2',4'-DIHYDROXY-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL105310
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL105310
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-401492
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-401492
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Chalcone, 2',4'-Dihydroxy-(E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one1-(2,4-Dihydroxyphenyl)-3-phenyl-2-propen-1-one1776-30-32',4'-Dihydroxychalcone2',4'-dihydroxylchalcone2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-25515-43-9CHEMBL105310NSC-401492
Cross References
Trusted external identifiers retained for this final record.
Cas
25515-43-9
Herb
HBIN020191
Npass
NPC297186
Tcmsp
MOL013314
Sym Map
SMIT13980
Pub Chem
5376979
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
Mol Wt
240.258
Cas Id
25515-43-9
Mol Log P
2.993900000000003
Version
v1,v2
In Ch Ikey
JUMSUVHHUVPSOY-RMKNXTFCSA-N
Ob Score
3.063.060053363
Suppress
0
Num Hdonors
2
Drug Likeness
0.64
Num Hacceptors
3
Isomeric Smiles
C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O
Molecule Weight
240.27
Canonical Smiles
C1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)O)O
Herb Alias Names
2',4'-Dihydroxychalcone1776-30-325515-43-9(E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-2',4'-dihydroxylchalconeCHALCONE, 2',4'-DIHYDROXY-CHEMBL1053101-(2,4-Dihydroxyphenyl)-3-phenyl-2-propen-1-oneNSC-401492
Molecular Formula
C15H12O3
Num Rotatable Bonds
3