Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 5Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2167
- Core Entity Id
- 5597
- Source Entity Count
- 1
- Preferred Name
- 2-methyl-5-(1-methylethylidene)-cyclo-hexanone
- Name En
- Pubchem Id
- 14440745
- Smiles Canonical
- CC1CCC(=C(C)C)CC1=O
- Molecular Formula
- C10H16O
- Molecular Weight
- 152.2370
- Inchikey
- KCMPNSMMFORCER-QMMMGPOBSA-N
- Inchi
- InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8H,4-6H2,1-3H3/t8-/m0/s1
- Isomeric Smiles
- C[C@H]1CCC(=C(C)C)CC1=O
- Cas Id
- 15932-80-6
- Ob Score
- 48.3448
- Mol Logp
- 2.7119
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methyl-5-(1-Methylethylidene)-Cyclo-Hexanone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Methyl-5-(1-Methylethylidene)-Cyclo-Hexanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-methyl-5-(1-methylethylidene)-cyclo-hexanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methyl-5-(1-methylethylidene)-cyclo-hexanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-methyl-5-(1-methylethylidene)-cyclo-hexanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
15932-80-6
Herb
HBIN005987
Tcmsp
MOL010988
Sym Map
SMIT11947
Pub Chem
14440745
Tcmbank
TCMBANKIN034970
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8H,4-6H2,1-3H3/t8-/m0/s1
Mol Wt
152.237
Cas Id
15932-80-6
Mol Log P
2.711900000000001
Version
v1,v2
In Ch Ikey
KCMPNSMMFORCER-QMMMGPOBSA-N
Ob Score
48.3448258448.34482648.345
Suppress
0
Num Hdonors
0
Drug Likeness
0.488
Num Hacceptors
1
Isomeric Smiles
C[C@H]1CCC(=C(C)C)CC1=O
Molecule Weight
152.26
Canonical Smiles
CC1CCC(=C(C)C)CC1=O
Molecular Weight
152.23
Molecular Formula
C10H16O
Molecular Formula
C10H16O
Num Rotatable Bonds
0