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
- 751
- Core Entity Id
- 4027
- Source Entity Count
- 1
- Preferred Name
- 2',4'-dihydroxy-6'-methoxy-3',5'-dimethyldihydrochalcone
- Name En
- Pubchem Id
- 131162
- Smiles Canonical
- CC1=C(C(=C(C(=C1O)C(=O)CCC2=CC=CC=C2)OC)C)O
- Molecular Formula
- C18H20O4
- Molecular Weight
- 300.3540
- Inchikey
- HBRYKWADRULLHU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H20O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-8,20-21H,9-10H2,1-3H3
- Isomeric Smiles
- CC1=C(C(=C(C(=C1O)C(=O)CCC2=CC=CC=C2)OC)C)O
- Cas Id
- Ob Score
- Mol Logp
- 3.5387
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2', 4'- dihydroxy- 6'- methoxy- 3', 5'- dimethyldihydrochalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2',4'-dihydroxy-6'-methoxy-3',5'-dimethyldihydrochalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2',4'-dihydroxy-6'-methoxy-3',5'-dimethyldihydrochalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Propanone, 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Propanone, 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
76444-55-8
Role
alias
Source
HERB_v2
Preferred
No
Name
76444-55-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
ACon1_001290
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_001290
Role
alias
Source
itcmdb_public
Preferred
No
Name
Angoletin
Role
alias
Source
HERB_v2
Preferred
No
Name
Angoletin
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL452234
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL452234
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00227255
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00227255
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_001393
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_001393
Role
alias
Source
itcmdb_public
Preferred
No
Name
ON-III compound
Role
alias
Source
HERB_v2
Preferred
No
Name
ON-III compound
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2', 4'- dihydroxy- 6'- methoxy- 3', 5'- dimethyldihydrochalcone1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one1-Propanone, 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-76444-55-8ACon1_001290AngoletinCHEMBL452234DTXSID00227255MEGxp0_001393ON-III compound
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004323
Npass
NPC103842
Tcmid
40711
Pub Chem
131162
Tcmbank
TCMBANKIN023018
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H20O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-8,20-21H,9-10H2,1-3H3
Mol Wt
300.354
Smiles
CC1=C(C(=C(C(=C1O)C(=O)CCC2=CC=CC=C2)OC)C)O
Mol Log P
3.538740000000004
In Ch Ikey
HBRYKWADRULLHU-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.829
Num Hacceptors
4
Isomeric Smiles
CC1=C(C(=C(C(=C1O)C(=O)CCC2=CC=CC=C2)OC)C)O
Canonical Smiles
CC1=C(C(=C(C(=C1O)C(=O)CCC2=CC=CC=C2)OC)C)O
Herb Alias Names
Angoletin76444-55-81-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-oneON-III compoundDTXSID002272551-Propanone, 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-CHEMBL452234MEGxp0_001393ACon1_001290
Molecular Weight
300.3 g/mol
Molecular Formula
C18H20O4
Molecular Formula
C18H20O4
Num Rotatable Bonds
5