Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3234
- Core Entity Id
- 6781
- Source Entity Count
- 1
- Preferred Name
- 3,4,5,2',4'-pentahydroxychalcone
- Name En
- Pubchem Id
- 2763155
- Smiles Canonical
- C1=CC(=C(C=C1O)O)C(=O)C=CC2=CC(=C(C(=C2)O)O)O
- Molecular Formula
- C15H12O6
- Molecular Weight
- 288.2550
- Inchikey
- NLAXFZHJXUCLDR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O6/c16-9-2-3-10(12(18)7-9)11(17)4-1-8-5-13(19)15(21)14(20)6-8/h1-7,16,18-21H
- Isomeric Smiles
- C1=CC(=C(C=C1O)O)C(=O)C=CC2=CC(=C(C(=C2)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.1107
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,4,5,2',4'-Pentahydroxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,4,5,2',4'-pentahydroxychalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,4,5,2',4'-pentahydroxychalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,4,5,2',4'-pentahydroxychalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-(2,4-DIHYDROXYPHENYL)-3-(3,4,5-TRIHYDROXYPHENYL)PROP-2-EN-1-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2,4-DIHYDROXYPHENYL)-3-(3,4,5-TRIHYDROXYPHENYL)PROP-2-EN-1-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-015826
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-015826
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4970057
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4970057
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-(2,4-DIHYDROXYPHENYL)-3-(3,4,5-TRIHYDROXYPHENYL)PROP-2-EN-1-ONEDB-015826SCHEMBL4970057
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007234
Tcmid
16830
Pub Chem
2763155
Tcmbank
TCMBANKIN030346
Etcm Ingredient
3,4,5,2',4'-Pentahydroxychalcone
Itcmdb Generated
ITX-INGREDIENT-A1F0ED4B8039
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O6/c16-9-2-3-10(12(18)7-9)11(17)4-1-8-5-13(19)15(21)14(20)6-8/h1-7,16,18-21H
Mol Wt
288.255
Smiles
C1=CC(=C(C=C1O)O)C(=O)C=CC2=CC(=C(C(=C2)O)O)O
Mol Log P
2.110700000000001
In Ch Ikey
NLAXFZHJXUCLDR-UHFFFAOYSA-N
Num Hdonors
5
Drug Likeness
0.335
Num Hacceptors
6
Isomeric Smiles
C1=CC(=C(C=C1O)O)C(=O)C=CC2=CC(=C(C(=C2)O)O)O
Canonical Smiles
C1=CC(=C(C=C1O)O)C(=O)C=CC2=CC(=C(C(=C2)O)O)O
Herb Alias Names
1-(2,4-DIHYDROXYPHENYL)-3-(3,4,5-TRIHYDROXYPHENYL)PROP-2-EN-1-ONESCHEMBL4970057DB-015826
Molecular Weight
288.060
Molecular Weight
288.25 g/mol
Molecular Formula
C15H12O6
Molecular Formula
C15H12O6
Molecular Formula
C15H12O6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.760
Quantitative Estimate Of Drug Likeness（Qed）
0.335