Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 745
- Core Entity Id
- 4021
- Source Entity Count
- 1
- Preferred Name
- 2',4'-dihydroxy-4,6'-dimethoxydihydrochalcone
- Name En
- Pubchem Id
- 637162
- Smiles Canonical
- COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)O)O
- Molecular Formula
- C17H18O5
- Molecular Weight
- 302.3260
- Inchikey
- SGAQUVXWXIVPKX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H18O5/c1-21-13-6-3-11(4-7-13)5-8-14(19)17-15(20)9-12(18)10-16(17)22-2/h3-4,6-7,9-10,18,20H,5,8H2,1-2H3
- Isomeric Smiles
- COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9305
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.8020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2',4'-dihydroxy-4,6'-dimethoxydihydrochalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2',4'-dihydroxy-4,6'-dimethoxydihydrochalcone
Role
preferred
Source
itcmdb_public
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
1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4-Dihydroxy-4,6-dimethoxydihydrochalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-Dihydroxy-4,6-dimethoxydihydrochalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
75679-58-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
75679-58-2
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS032948926
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032948926
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL255287
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL255287
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00348414
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00348414
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N8796
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N8796
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12120538
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12120538
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1938352
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1938352
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
长叶哥纳香CHANG YE GE NA XIANGLongleaf Goniothalamus1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one2,4-Dihydroxy-4,6-dimethoxydihydrochalcone75679-58-2AKOS032948926CHEMBL255287DTXSID00348414HY-N8796LMPK12120538SCHEMBL1938352
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004318
Npass
NPC20560
Tcmid
5823
Pub Chem
637162
Tcmbank
TCMBANKIN045299
Etcm Ingredient
2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone
Itcmdb Generated
ITX-INGREDIENT-A604D6523022
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H18O5/c1-21-13-6-3-11(4-7-13)5-8-14(19)17-15(20)9-12(18)10-16(17)22-2/h3-4,6-7,9-10,18,20H,5,8H2,1-2H3
Mol Wt
302.326
Mol Log P
2.930500000000003
In Ch Ikey
SGAQUVXWXIVPKX-UHFFFAOYSA-N
Tcm Name
长叶哥纳香
Tcm Name2
CHANG YE GE NA XIANG
Mol2 Path
/TCM_database/2007_3d_all/05824.mol2
Reference
5096
Num Hdonors
2
Tcm Name En
Longleaf Goniothalamus
Drug Likeness
0.802
Num Hacceptors
5
Isomeric Smiles
COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)O)O
Canonical Smiles
COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)O)O
Herb Alias Names
75679-58-21-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one2,4-Dihydroxy-4,6-dimethoxydihydrochalconeCHEMBL255287SCHEMBL1938352DTXSID00348414HY-N8796LMPK12120538AKOS032948926
Molecular Weight
300.100
Molecular Weight
302.32 g/mol
Molecular Formula
C17H16O5
Molecular Formula
C17H18O5
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.583
Quantitative Estimate Of Drug Likeness（Qed）
0.655