Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 7Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7061
- Core Entity Id
- 11029
- Source Entity Count
- 1
- Preferred Name
- 5-methoxy-1,7-diphenyl-3-heptanone
- Name En
- Pubchem Id
- 5319430
- Smiles Canonical
- COC(CCC1=CC=CC=C1)CC(=O)CCC2=CC=CC=C2
- Molecular Formula
- C20H24O2
- Molecular Weight
- 296.4100
- Inchikey
- PVYORFBABSDDNC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H24O2/c1-22-20(15-13-18-10-6-3-7-11-18)16-19(21)14-12-17-8-4-2-5-9-17/h2-11,20H,12-16H2,1H3
- Isomeric Smiles
- COC(CCC1=CC=CC=C1)CC(=O)CCC2=CC=CC=C2
- Cas Id
- 103947-71-6
- Ob Score
- 68.2857
- Mol Logp
- 4.2262
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.6920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Methoxy-1,7-Diphenyl-3-Heptanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5-methoxy-1,7-diphenyl-3-heptanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-methoxy-1,7-diphenyl-3-heptanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-methoxy-1,7-diphenyl-3-heptanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
100667-54-7
Role
alias
Source
HERB_v2
Preferred
No
Name
100667-54-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-methoxy-1,7-diphenylheptan-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-methoxy-1,7-diphenylheptan-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040763698
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040763698
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:174142
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:174142
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL240485
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL240485
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID701296265
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID701296265
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
100667-54-75-methoxy-1,7-diphenylheptan-3-oneAKOS040763698CHEBI:174142CHEMBL240485DTXSID701296265
Cross References
Trusted external identifiers retained for this final record.
Cas
103947-71-6
Herb
HBIN011728
Npass
NPC231591
Tcmid
13914
Tcmsp
MOL002554
Sym Map
SMIT04773
Pub Chem
5319430
Tcmbank
TCMBANKIN032979
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H24O2/c1-22-20(15-13-18-10-6-3-7-11-18)16-19(21)14-12-17-8-4-2-5-9-17/h2-11,20H,12-16H2,1H3
Mol Wt
296.41
Cas Id
103947-71-6
Smiles
COC(CCC1=CC=CC=C1)CC(=O)CCC2=CC=CC=C2
Mol Log P
4.226200000000004
Version
v1,v2
In Ch Ikey
PVYORFBABSDDNC-UHFFFAOYSA-N
Ob Score
68.2857368368.28573768.286
Suppress
0
Num Hdonors
0
Drug Likeness
0.692
Num Hacceptors
2
Isomeric Smiles
COC(CCC1=CC=CC=C1)CC(=O)CCC2=CC=CC=C2
Molecule Weight
296.44
Canonical Smiles
COC(CCC1=CC=CC=C1)CC(=O)CCC2=CC=CC=C2
Herb Alias Names
5-methoxy-1,7-diphenylheptan-3-one100667-54-7CHEMBL240485CHEBI:174142DTXSID701296265AKOS040763698
Molecular Weight
296.4 g/mol
Molecular Formula
C20H24O2
Molecular Formula
C20H24O2
Num Rotatable Bonds
9