Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 759
- Core Entity Id
- 4036
- Source Entity Count
- 1
- Preferred Name
- 2′,4′-dihydroxy chalcone
- Name En
- Pubchem Id
- 42607539
- Smiles Canonical
- C1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)O)O
- Molecular Formula
- C25H26O4
- Molecular Weight
- 390.4790
- Inchikey
- UFUYLMBCDWVANM-UXBLZVDNSA-N
- Inchi
- InChI=1S/C25H26O4/c1-16(2)5-7-18-13-17(14-19-11-12-25(3,4)29-24(18)19)6-10-22(27)21-9-8-20(26)15-23(21)28/h5-6,8-15,26,28H,7H2,1-4H3/b10-6+
- Isomeric Smiles
- CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)/C=C/C(=O)C3=C(C=C(C=C3)O)O)C
- Cas Id
- Ob Score
- 3.0601
- Mol Logp
- 5.6868
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3910
- Polar Surface Area
- 66.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2',4 '-Dihydroxychalcone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2',4 '-Dihydroxychalcone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2',4 '-dihydroxychalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2',4 '-dihydroxychalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2'4'-Dihydroxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2′,4′-dihydroxy chalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
1-(2,4-dihydroxyphenyl)-3-phenyl-prop-2-en-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
178734-43-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
178734-43-5
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-, (E)-
Role
alias
Source
TCMBank
Preferred
No
Name
25515-43-9
Role
alias
Source
TCMBank
Preferred
No
Name
2′,4′-dihydroxychalcone
Role
alias
Source
TCMBank
Preferred
No
Name
2′,4′-dihydroxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
2′,4′-dihydroxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Prenyl-6'',6''-dimethylpyrano[2'',3'':4,3]-2',4'-dihydroxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Prenyl-6'',6''-dimethylpyrano[2'',3'':4,3]-2',4'-dihydroxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthyllisone
Role
alias
Source
HERB_v2
Preferred
No
Name
Anthyllisone
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHALCONE, 2',4'-DIHYDROXY-
Role
alias
Source
TCMBank
Preferred
No
Name
LMPK12120088
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12120088
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00096022-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC401492
Role
alias
Source
TCMBank
Preferred
No
Name
SPECTRUM1505132
Role
alias
Source
TCMBank
Preferred
No
Name
ST5308968
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2',4 '-Dihydroxychalcone2'4'-Dihydroxychalcone(E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl)prop-2-en-1-one(E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one1-(2,4-dihydroxyphenyl)-3-phenyl-prop-2-en-1-one178734-43-52-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-, (E)-25515-43-92′,4′-dihydroxychalcone5-Prenyl-6'',6''-dimethylpyrano[2'',3'':4,3]-2',4'-dihydroxychalconeAnthyllisoneCHALCONE, 2',4'-DIHYDROXY-LMPK12120088NCGC00096022-01NSC401492SPECTRUM1505132ST5308968
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004HBIN004334HBIN004335
Tcmid
410314174741966
Sym Map
SMIT20438SMIT20875
Pub Chem
42607539
Tcmbank
TCMBANKIN015631TCMBANKIN058304
Etcm Ingredient
2'4'-Dihydroxychalcone
Itcmdb Generated
ITX-INGREDIENT-969F7DBFC9E7ITX-INGREDIENT-B37D578EFECAITX-INGREDIENT-B7B775F30262
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C25H26O4/c1-16(2)5-7-18-13-17(14-19-11-12-25(3,4)29-24(18)19)6-10-22(27)21-9-8-20(26)15-23(21)28/h5-6,8-15,26,28H,7H2,1-4H3/b10-6+
Mol Wt
390.4790000000001
Smiles
C1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)O)O
Mol Log P
5.686800000000006
Version
v2
In Ch Ikey
UFUYLMBCDWVANM-UXBLZVDNSA-N
Ob Score
3.060053
Suppress
0
Num Hdonors
2
Drug Likeness
0.391
Num Hacceptors
4
Isomeric Smiles
CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)/C=C/C(=O)C3=C(C=C(C=C3)O)O)C
Canonical Smiles
CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)C=CC(=O)C3=C(C=C(C=C3)O)O)C
Herb Alias Names
Anthyllisone5-Prenyl-6'',6''-dimethylpyrano[2'',3'':4,3]-2',4'-dihydroxychalcone(E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl)prop-2-en-1-one(E)-1-(2,4-dihydroxyphenyl)-3-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]prop-2-en-1-oneLMPK12120088178734-43-5
Molecular Weight
240.080
Molecular Weight
240.25 g/mol
Molecular Formula
C15H12O3
Molecular Formula
C15H12O3
Molecular Formula
C25H26O4
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.288
Quantitative Estimate Of Drug Likeness（Qed）
0.640