Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 755
- Core Entity Id
- 4032
- Source Entity Count
- 1
- Preferred Name
- 2',4'-dihydroxy-6'-methoxy-3'-methyldihydrochalcone
- Name En
- Pubchem Id
- 10085385
- Smiles Canonical
- CC1=C(C(=C(C=C1O)OC)C(=O)CCC2=CC=CC=C2)O
- Molecular Formula
- C17H18O4
- Molecular Weight
- 286.3270
- Inchikey
- ZDJYWPQCNAPESX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H18O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-7,10,19-20H,8-9H2,1-2H3
- Isomeric Smiles
- CC1=C(C(=C(C=C1O)OC)C(=O)CCC2=CC=CC=C2)O
- Cas Id
- Ob Score
- Mol Logp
- 3.2303
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8280
- 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'- methyldihydrochalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2',4'-dihydroxy-6'-methoxy-3'-methyldihydrochalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2',4'-dihydroxy-6'-methoxy-3'-methyldihydrochalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-1-propanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-1-propanone
Role
alias
Source
HERB_v2
Preferred
No
Name
143502-00-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
143502-00-5
Role
alias
Source
HERB_v2
Preferred
No
Name
2-((Dicyclopropylmethyl)imino)-Oxazolidine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-((Dicyclopropylmethyl)imino)-Oxazolidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:168473
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:168473
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID401174121
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID401174121
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12120492
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12120492
Role
alias
Source
itcmdb_public
Preferred
No
Name
Myrigalone H
Role
alias
Source
HERB_v2
Preferred
No
Name
Myrigalone H
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(DICYCLOPROPYLMETHYL)-4,5-DIHYDRO-2-OXAZOLAMINE
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(DICYCLOPROPYLMETHYL)-4,5-DIHYDRO-2-OXAZOLAMINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rilmenidene
Role
alias
Source
HERB_v2
Preferred
No
Name
Rilmenidene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2', 4'- dihydroxy- 6'- methoxy- 3'- methyldihydrochalcone1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-1-propanone143502-00-52-((Dicyclopropylmethyl)imino)-OxazolidineCHEBI:168473DTXSID401174121LMPK12120492Myrigalone HN-(DICYCLOPROPYLMETHYL)-4,5-DIHYDRO-2-OXAZOLAMINERilmenidene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004327HBIN036141
Npass
NPC172319
Tcmid
1518441083
Pub Chem
10085385
Tcmbank
TCMBANKIN059678
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H18O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-7,10,19-20H,8-9H2,1-2H3
Mol Wt
286.3269999999999
Smiles
CC1=C(C(=C(C=C1O)OC)C(=O)CCC2=CC=CC=C2)O
Mol Log P
3.230320000000002
In Ch Ikey
ZDJYWPQCNAPESX-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.828
Num Hacceptors
4
Isomeric Smiles
CC1=C(C(=C(C=C1O)OC)C(=O)CCC2=CC=CC=C2)O
Canonical Smiles
CC1=C(C(=C(C=C1O)OC)C(=O)CCC2=CC=CC=C2)O
Herb Alias Names
Myrigalone H1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-1-propanoneRilmenideneN-(DICYCLOPROPYLMETHYL)-4,5-DIHYDRO-2-OXAZOLAMINECHEBI:168473DTXSID401174121LMPK12120492143502-00-52-((Dicyclopropylmethyl)imino)-Oxazolidine
Molecular Weight
286.32 g/mol
Molecular Formula
C17H18O4
Molecular Formula
C17H18O4
Num Rotatable Bonds
5