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
- 1973
- Core Entity Id
- 5382
- Source Entity Count
- 1
- Preferred Name
- 2'-hydroxy-4,4',6'-trimethoxydihydrochalcone
- Name En
- Pubchem Id
- 270057
- Smiles Canonical
- COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)OC)O
- Molecular Formula
- C18H20O5
- Molecular Weight
- 316.3530
- Inchikey
- KGFYDIZALLKOLQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H20O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-5,7-8,10-11,20H,6,9H2,1-3H3
- Isomeric Smiles
- COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.2335
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.7940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2'-Hydroxy-4,4',6'-trimethoxydihydrochalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2'-Hydroxy-4,4',6'-trimethoxydihydrochalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2'-hydroxy-4,4',6'-trimethoxydihydrochalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2'-hydroxy-4,4',6'-trimethoxydihydrochalcone
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
1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-propanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-propanone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3791-75-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
3791-75-1
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL523190
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL523190
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavokawin A
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavokawin A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavokawine A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavokawine A
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC112156
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC112156
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2282039
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2282039
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-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-propanone1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one3791-75-1CHEMBL523190Flavokawin AFlavokawine ANSC112156SCHEMBL2282039
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005753
Npass
NPC144051
Tcmid
10786
Pub Chem
270057
Tcmbank
TCMBANKIN048654
Etcm Ingredient
2'-Hydroxy-4,4',6'-trimethoxydihydrochalcone
Itcmdb Generated
ITX-INGREDIENT-2F3B033AA6FA
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H20O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-5,7-8,10-11,20H,6,9H2,1-3H3
Mol Wt
316.353
Mol Log P
3.233500000000002
In Ch Ikey
KGFYDIZALLKOLQ-UHFFFAOYSA-N
Tcm Name
长叶哥纳香
Tcm Name2
CHANG YE GE NA XIANG
Mol2 Path
/TCM_database/2007_3d_all/10787.mol2
Reference
5096
Num Hdonors
1
Tcm Name En
Longleaf Goniothalamus
Drug Likeness
0.794
Num Hacceptors
5
Isomeric Smiles
COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)OC)O
Canonical Smiles
COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)OC)O
Herb Alias Names
Flavokawin A3791-75-1Flavokawine A1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-(4-methoxyphenyl)propan-1-one1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-propanoneNSC112156CHEMBL523190SCHEMBL2282039
Molecular Weight
316.130
Molecular Weight
316.3 g/mol
Molecular Formula
C18H20O5
Molecular Formula
C18H20O5
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.472
Quantitative Estimate Of Drug Likeness（Qed）
0.794