Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6017
- Core Entity Id
- 9871
- Source Entity Count
- 1
- Preferred Name
- 4'-hydroxy-2'-methoxychalcone
- Name En
- Pubchem Id
- 13842401
- Smiles Canonical
- COC1=C(C=CC(=C1)O)C(=O)C=CC2=CC=CC=C2
- Molecular Formula
- C16H14O3
- Molecular Weight
- 254.2850
- Inchikey
- VLEOOBKBMSIDKF-JXMROGBWSA-N
- Inchi
- InChI=1S/C16H14O3/c1-19-16-11-13(17)8-9-14(16)15(18)10-7-12-5-3-2-4-6-12/h2-11,17H,1H3/b10-7+
- Isomeric Smiles
- COC1=C(C=CC(=C1)O)C(=O)/C=C/C2=CC=CC=C2
- Cas Id
- Ob Score
- Mol Logp
- 3.2969
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4'-hydroxy-2'-methoxychalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4'-hydroxy-2'-methoxychalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4'-hydroxy-2'-methoxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4'-hydroxy-2'-methoxychalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-Methoxyisoliquiritigenin
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methoxyisoliquiritigenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
69470-84-4
Role
alias
Source
HERB_v2
Preferred
No
Name
69470-84-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL445232
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL445232
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12120017
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12120017
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL25214503
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL25214503
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL25217879
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL25217879
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Methoxyisoliquiritigenin69470-84-4CHEMBL445232LMPK12120017SCHEMBL25214503SCHEMBL25217879
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010454
Npass
NPC308037
Tcmid
10393
Pub Chem
13842401
Tcmbank
TCMBANKIN050396
Etcm Ingredient
4'-hydroxy-2'-methoxychalcone
Itcmdb Generated
ITX-INGREDIENT-8DEFD28E9B83
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H14O3/c1-19-16-11-13(17)8-9-14(16)15(18)10-7-12-5-3-2-4-6-12/h2-11,17H,1H3/b10-7+
Mol Wt
254.285
Smiles
COC1=C(C=CC(=C1)O)C(=O)C=CC2=CC=CC=C2
Mol Log P
3.296900000000002
In Ch Ikey
VLEOOBKBMSIDKF-JXMROGBWSA-N
Mol2 Path
/TCM_database/2007_3d_all/10394.mol2
Reference
4716
Num Hdonors
1
Drug Likeness
0.672
Num Hacceptors
3
Isomeric Smiles
COC1=C(C=CC(=C1)O)C(=O)/C=C/C2=CC=CC=C2
Canonical Smiles
COC1=C(C=CC(=C1)O)C(=O)C=CC2=CC=CC=C2
Herb Alias Names
2-MethoxyisoliquiritigeninCHEMBL445232SCHEMBL25214503SCHEMBL25217879LMPK1212001769470-84-4
Molecular Weight
254.090
Molecular Weight
254.28 g/mol
Molecular Formula
C16H14O3
Molecular Formula
C16H14O3
Molecular Formula
C16H14O3
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.260
Quantitative Estimate Of Drug Likeness（Qed）
0.672