Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 14Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 564
- Core Entity Id
- 3820
- Source Entity Count
- 1
- Preferred Name
- 2,4,2′,4′-tetrahydroxychalcone
- Name En
- Pubchem Id
- 10107266
- Smiles Canonical
- C1=CC(=C(C=C1O)O)C=CC(=O)C2=C(C=C(C=C2)O)O
- Molecular Formula
- C15H12O5
- Molecular Weight
- 272.2560
- Inchikey
- ZWTDXYUDJYDHJR-QHHAFSJGSA-N
- Inchi
- InChI=1S/C15H12O5/c16-10-3-1-9(14(19)7-10)2-6-13(18)12-5-4-11(17)8-15(12)20/h1-8,16-17,19-20H/b6-2+
- Isomeric Smiles
- C1=CC(=C(C=C1O)O)/C=C/C(=O)C2=C(C=C(C=C2)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.4051
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4,2',4'-Tetrahydroxychalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4,2',4'-Tetrahydroxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,4,2',4'-tetrahydroxychalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4,2′,4′-tetrahydroxychalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
构树
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GOU SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Papermulberry
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(E)-1,3-bis(2,4-dihydroxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-1,3-bis(2,4-dihydroxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2',4,4'-tetrahydroxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2',4,4'-tetrahydroxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,2'',4''-tetrahydroxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4,2',4'-Tetrahydroxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50203985
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50203985
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:196260
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:196260
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL394855
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL394855
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12120128
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12120128
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL675094
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL675094
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,4,2',4'-Tetrahydroxychalcone构树GOU SHUCommon Papermulberry(E)-1,3-bis(2,4-dihydroxyphenyl)prop-2-en-1-one2,2',4,4'-tetrahydroxychalcone2,4,2'',4''-tetrahydroxychalconeBDBM50203985CHEBI:196260CHEMBL394855LMPK12120128SCHEMBL675094
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004189HBIN004190
Npass
NPC267552
Tcmid
2107041084
Pub Chem
1010726654570259
Tcmbank
TCMBANKIN017362TCMBANKIN058174
Etcm Ingredient
2,4,2',4'-Tetrahydroxychalcone
Itcmdb Generated
ITX-INGREDIENT-8FE033EE5983ITX-INGREDIENT-AC372651F148
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O5/c16-10-3-1-9(14(19)7-10)2-6-13(18)12-5-4-11(17)8-15(12)20/h1-8,16-17,19-20H/b6-2+
Mol Wt
272.256
Smiles
C1=CC(=C(C=C1O)O)C=CC(=O)C2=C(C=C(C=C2)O)O
Mol Log P
2.405100000000002
In Ch Ikey
ZWTDXYUDJYDHJR-QHHAFSJGSA-N
Tcm Name
构树
Tcm Name2
GOU SHU
Mol2 Path
/TCM_database/2007_3d_all/21086.mol2
Reference
3090
Num Hdonors
4
Tcm Name En
Common Papermulberry
Drug Likeness
0.508
Num Hacceptors
5
Isomeric Smiles
C1=CC(=C(C=C1O)O)/C=C/C(=O)C2=C(C=C(C=C2)O)O
Canonical Smiles
C1=CC(=C(C=C1O)O)C=CC(=O)C2=C(C=C(C=C2)O)O
Herb Alias Names
CHEMBL3948552,2',4,4'-tetrahydroxychalconeSCHEMBL675094(E)-1,3-bis(2,4-dihydroxyphenyl)prop-2-en-1-oneCHEBI:1962602,2'',4,4''-tetrahydroxychalcone2,4,2'',4''-tetrahydroxychalconeBDBM50203985LMPK12120128
Molecular Weight
272.070
Molecular Weight
272.25 g/mol
Molecular Formula
C15H12O5
Molecular Formula
C15H12O5
Molecular Formula
C15H12O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.679
Quantitative Estimate Of Drug Likeness（Qed）
0.508