ITCMDBv1
IngredientID 7949

(6r)-6-isopropyl-3-methyl-1-cyclohex-2-enone

C10H16O

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Herb: 12Ingredient: 1Target: 5Links: 17
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
7949
Core Entity Id
12010
Source Entity Count
1
Preferred Name
(6r)-6-isopropyl-3-methyl-1-cyclohex-2-enone
Name En
Pubchem Id
107561
Smiles Canonical
CC1=CC(=O)C(CC1)C(C)C
Molecular Formula
C10H16O
Molecular Weight
152.2370
Inchikey
YSTPAHQEHQSRJD-SECBINFHSA-N
Inchi
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m1/s1
Isomeric Smiles
CC1=CC(=O)[C@H](CC1)C(C)C
Cas Id
4573-50-6
Ob Score
53.8778
Mol Logp
2.5678
Num H Donors
0
Num H Acceptors
1
Num Rotatable Bonds
1
Drug Likeness
0.5640
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
(6R)-6-Isopropyl-3-Methyl-1-Cyclohex-2-Enone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(6R)-6-Isopropyl-3-Methyl-1-Cyclohex-2-Enone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(6R)-6-isopropyl-3-methyl-1-cyclohex-2-enone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(6r)-6-isopropyl-3-methyl-1-cyclohex-2-enone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(6r)-6-isopropyl-3-methyl-1-cyclohex-2-enone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-piperitone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-piperitone
Role
alias
Source
HERB_v2
Preferred
No
Name
(6R)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
(6R)-6-isopropyl-3-methyl-cyclohex-2-en-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-6-(Isopropyl)-3-methylcyclohex-2-en-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-6-(Isopropyl)-3-methylcyclohex-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-6-(Isopropyl)-3-methylcyclohex-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (6R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (6R)-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (6R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4573-50-6
Role
alias
Source
HERB_v2
Preferred
No
Name
4573-50-6
Role
alias
Source
TCMBank
Preferred
No
Name
4573-50-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
8GZY0Q0N20
Role
alias
Source
HERB_v2
Preferred
No
Name
8GZY0Q0N20
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:48934
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:48934
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 224-957-0
Role
alias
Source
TCMBank
Preferred
No
Name
Piperitone, L-
Role
alias
Source
HERB_v2
Preferred
No
Name
Piperitone, L-
Role
alias
Source
itcmdb_public
Preferred
No
Name
l-piperitone
Role
alias
Source
HERB_v2
Preferred
No
Name
l-piperitone
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(-)-piperitone(6R)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one(6R)-6-isopropyl-3-methyl-cyclohex-2-en-1-one(R)-6-(Isopropyl)-3-methylcyclohex-2-en-1-one2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (6R)-4573-50-68GZY0Q0N20CHEBI:48934EINECS 224-957-0Piperitone, L-l-piperitone

Cross References

Trusted external identifiers retained for this final record.

Cas
4573-50-6
Herb
HBIN012772
Npass
NPC268564
Tcmsp
MOL000205
Sym Map
SMIT02853
Pub Chem
107561
Tcmbank
TCMBANKIN015220

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)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m1/s1
Mol Wt
152.237
Cas Id
4573-50-6
Smiles
CC1=CC(=O)C(CC1)C(C)C
Mol Log P
2.567800000000001
Version
v1,v2
In Ch Ikey
YSTPAHQEHQSRJD-SECBINFHSA-N
Ob Score
53.87781853.8778181453.878
Suppress
0
Num Hdonors
0
Drug Likeness
0.564
Num Hacceptors
1
Isomeric Smiles
CC1=CC(=O)[C@H](CC1)C(C)C
Molecule Weight
152.26
Canonical Smiles
CC1=CC(=O)C(CC1)C(C)C
Herb Alias Names
l-piperitone4573-50-6(R)-6-(Isopropyl)-3-methylcyclohex-2-en-1-onePiperitone, L-(-)-piperitone(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (6R)-8GZY0Q0N20CHEBI:48934(6R)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one
Molecular Weight
152.23
Molecular Formula
C10H16O
Molecular Formula
C10H16O
Num Rotatable Bonds
1