Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1947
- Core Entity Id
- 5353
- Source Entity Count
- 1
- Preferred Name
- 2'-hydroxy-2,3,4'6'-tetramethoxychalcone
- Name En
- Pubchem Id
- 10337542
- Smiles Canonical
- COC1=CC=CC(=C1OC)C=CC(=O)C2=C(C=C(C=C2OC)OC)O
- Molecular Formula
- C19H20O6
- Molecular Weight
- 344.3630
- Inchikey
- LYUYMCWIWGASRX-CMDGGOBGSA-N
- Inchi
- InChI=1S/C19H20O6/c1-22-13-10-15(21)18(17(11-13)24-3)14(20)9-8-12-6-5-7-16(23-2)19(12)25-4/h5-11,21H,1-4H3/b9-8+
- Isomeric Smiles
- COC1=CC=CC(=C1OC)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.3227
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.6130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2'-Hydroxy-2,3,4'6'-tetramethoxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2'-Hydroxy-2,3,4'6'-tetramethoxychalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2'-hydroxy-2,3,4'6'-tetramethoxychalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2'-hydroxy-2,3,4'6'-tetramethoxychalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
极美云实
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JI MEI YUN SHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Prettiest Caesalpinia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2'-HYDROXY-2,3,4',6'-TETRAMETHOXYCHALCONE
Role
alias
Source
HERB_v2
Preferred
No
Name
2'-Hydroxy-2,3,4',6',Tetramethoxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2'-Hydroxy-2,3,4',6'-tetramethoxychalcone, AldrichCPR
Role
alias
Source
itcmdb_public
Preferred
No
Name
2'-Hydroxy-2,3,4',6'-tetramethoxychalcone, AldrichCPR
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propen-1-one, 3-(2,3-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propen-1-one, 3-(2,3-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS024287192
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS024287192
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1254091
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1254091
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12120206
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12120206
Role
alias
Source
itcmdb_public
Preferred
No
Name
LYUYMCWIWGASRX-CMDGGOBGSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
LYUYMCWIWGASRX-CMDGGOBGSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5426849
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5426849
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
极美云实JI MEI YUN SHIPrettiest Caesalpinia2'-HYDROXY-2,3,4',6'-TETRAMETHOXYCHALCONE2'-Hydroxy-2,3,4',6',Tetramethoxychalcone2'-Hydroxy-2,3,4',6'-tetramethoxychalcone, AldrichCPR2-Propen-1-one, 3-(2,3-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-AKOS024287192CHEMBL1254091LMPK12120206LYUYMCWIWGASRX-CMDGGOBGSA-NSCHEMBL5426849
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005724
Npass
NPC119663
Tcmid
10747
Pub Chem
10337542
Tcmbank
TCMBANKIN043481
Etcm Ingredient
2'-Hydroxy-2,3,4'6'-tetramethoxychalcone
Itcmdb Generated
ITX-INGREDIENT-13D308417523
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H20O6/c1-22-13-10-15(21)18(17(11-13)24-3)14(20)9-8-12-6-5-7-16(23-2)19(12)25-4/h5-11,21H,1-4H3/b9-8+
Mol Wt
344.3630000000001
Mol Log P
3.322700000000002
In Ch Ikey
LYUYMCWIWGASRX-CMDGGOBGSA-N
Tcm Name
极美云实
Tcm Name2
JI MEI YUN SHI
Mol2 Path
/TCM_database/2007_3d_all/10748.mol2
Reference
3407
Num Hdonors
1
Tcm Name En
Prettiest Caesalpinia
Drug Likeness
0.613
Num Hacceptors
6
Isomeric Smiles
COC1=CC=CC(=C1OC)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O
Canonical Smiles
COC1=CC=CC(=C1OC)C=CC(=O)C2=C(C=C(C=C2OC)OC)O
Herb Alias Names
2'-HYDROXY-2,3,4',6'-TETRAMETHOXYCHALCONESCHEMBL5426849CHEMBL1254091LYUYMCWIWGASRX-CMDGGOBGSA-NLMPK12120206AKOS0242871922'-Hydroxy-2,3,4',6',Tetramethoxychalcone2'-Hydroxy-2,3,4',6'-tetramethoxychalcone, AldrichCPR2-Propen-1-one, 3-(2,3-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-
Molecular Weight
344.130
Molecular Formula
C19H20O6
Molecular Formula
C19H20O6
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.297
Quantitative Estimate Of Drug Likeness（Qed）
0.613