Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 744
- Core Entity Id
- 4020
- Source Entity Count
- 1
- Preferred Name
- 2,4-dihydroxy-4',6-dimethoxychalcone
- Name En
- Pubchem Id
- 11449431
- Smiles Canonical
- COC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2OC)O)O
- Molecular Formula
- C17H16O5
- Molecular Weight
- 300.3100
- Inchikey
- KJFNNCGVGSDNRR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O5/c1-21-13-5-3-11(4-6-13)15(19)8-7-14-16(20)9-12(18)10-17(14)22-2/h3-10,18,20H,1-2H3
- Isomeric Smiles
- COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)O)O
- Cas Id
- 103461-95-6
- Ob Score
- Mol Logp
- 3.0111
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2',4'-Dihydroxy-4,6'-dimethoxychalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2',4'-Dihydroxy-4,6'-dimethoxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2',4'-dihydroxy-4,6'-dimethoxychalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4-dihydroxy-4',6-dimethoxychalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
长叶哥纳香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHANG YE GE NA XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Longleaf Goniothalamus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-dihydroxy-4' ,6-dimethoxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-dihydroxy-4' ,6-dimethoxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
4-O-Methylhelichrysetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-O-Methylhelichrysetin
Role
alias
Source
HERB_v2
Preferred
No
Name
56121-44-9
Role
alias
Source
HERB_v2
Preferred
No
Name
56121-44-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040761151
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040761151
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL494264
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL494264
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-8663
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-8663
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12120301
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12120301
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2286230
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2286230
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2286236
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2286236
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2',4'-Dihydroxy-4,6'-dimethoxychalcone长叶哥纳香CHANG YE GE NA XIANGLongleaf Goniothalamus(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one2,4-dihydroxy-4' ,6-dimethoxychalcone4-O-Methylhelichrysetin56121-44-9AKOS040761151CHEMBL494264FS-8663LMPK12120301SCHEMBL2286230SCHEMBL2286236
Cross References
Trusted external identifiers retained for this final record.
Cas
103461-95-6
Herb
HBIN004316HBIN004317
Npass
NPC56031
Tcmid
5820
Tcm Id
8895
Pub Chem
1144943174819284
Tcmbank
TCMBANKIN009166TCMBANKIN041234
Etcm Ingredient
2',4'-Dihydroxy-4,6'-dimethoxychalcone
Itcmdb Generated
ITX-INGREDIENT-F2B26531D255
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O5/c1-21-13-5-3-11(4-6-13)15(19)8-7-14-16(20)9-12(18)10-17(14)22-2/h3-10,18,20H,1-2H3InChI=1S/C17H16O5/c1-21-13-6-3-11(4-7-13)5-8-14(19)17-15(20)9-12(18)10-16(17)22-2/h3-10,18,20H,1-2H3/b8-5+
Mol Wt
300.31
Cas Id
103461-95-6
Smiles
COC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2OC)O)O
Mol Log P
3.0111000000000023.011100000000003
In Ch Ikey
KJFNNCGVGSDNRR-UHFFFAOYSA-NYROJPKUFDFWHAO-VMPITWQZSA-N
Tcm Name
长叶哥纳香
Tcm Name2
CHANG YE GE NA XIANG
Mol2 Path
/TCM_database/2007_3d_all/05821.mol2
Reference
5096
Num Hdonors
2
Tcm Name En
Longleaf Goniothalamus
Drug Likeness
0.655
Num Hacceptors
5
Isomeric Smiles
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)O)OCOC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2OC)O)O
Canonical Smiles
COC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2OC)O)OCOC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2OC)O)O
Herb Alias Names
2,4-dihydroxy-4' ,6-dimethoxychalcone
Molecular Weight
302.120
Molecular Weight
300.3 g/mol300.31
Molecular Formula
C17H18O5
Molecular Formula
C17H16O5
Molecular Formula
C17H16O5
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.652
Quantitative Estimate Of Drug Likeness（Qed）
0.802