IngredientID 7228

P-menth-4-en-3-one

C10H16O

Relationship Network

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Herb: 5Ingredient: 1Target: 10Links: 15

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 7228
Core Entity Id: 11216
Source Entity Count: 1
Preferred Name: P-menth-4-en-3-one
Name En
Pubchem Id: 107372
Smiles Canonical: CC1CC=C(C(=O)C1)C(C)C
Molecular Formula: C10H16O
Molecular Weight: 152.2370
Inchikey: OAYBZGPDRAMDNF-MRVPVSSYSA-N
Inchi: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h5,7-8H,4,6H2,1-3H3
Isomeric Smiles: CC1CC=C(C(=O)C1)C(C)C
Cas Id: 5113-66-6
Ob Score: 61.1209
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

(5R)-Menth-2-Enone

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

(5R)-Menth-2-Enone

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

(5R)-Menth-2-enone

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(5r)-menth-2-enone

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

(5r)-menth-2-enone

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

P-Menth-4-En-3-One

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

P-menth-4-en-3-one

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

P-menth-4-en-3-one

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

p-menth-4-en-3-one

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(5R)-2-ISOPROPYL-5-METHYL-2-CYCLOHEXEN-1-ONE

Role

alias

Source

HERB_v2

Preferred

Name

(5R)-2-ISOPROPYL-5-METHYL-2-CYCLOHEXEN-1-ONE

Role

alias

Source

itcmdb_public

Preferred

Name

(5R)-2-Isopropyl-5-methylcyclohex-2-en-1-one

Role

alias

Source

itcmdb_public

Preferred

Name

(5R)-2-Isopropyl-5-methylcyclohex-2-en-1-one

Role

alias

Source

HERB_v2

Preferred

Name

(5R)-2-isopropyl-5-methyl-1-cyclohex-2-enone

Role

alias

Source

TCMBank

Preferred

Name

(5R)-2-isopropyl-5-methyl-cyclohex-2-en-1-one

Role

alias

Source

TCMBank

Preferred

Name

(5R)-5-methyl-2-propan-2-ylcyclohex-2-en-1-one

Role

alias

Source

TCMBank

Preferred

Name

(R)-2-Isopropyl-5-methylcyclohex-2-en-1-one

Role

alias

Source

HERB_v2

Preferred

Name

(R)-2-Isopropyl-5-methylcyclohex-2-en-1-one

Role

alias

Source

itcmdb_public

Preferred

Name

(r)-4-menthenone

Role

alias

Source

HERB_v2

Preferred

Name

(r)-4-menthenone

Role

alias

Source

itcmdb_public

Preferred

Name

1753-40-8

Role

alias

Source

itcmdb_public

Preferred

Name

1753-40-8

Role

alias

Source

HERB_v2

Preferred

Name

2-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)-

Role

alias

Source

itcmdb_public

Preferred

Name

2-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)-

Role

alias

Source

HERB_v2

Preferred

Name

2-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)-

Role

alias

Source

TCMBank

Preferred

Name

2-Isopropyl-5-methyl-2-cyclohexen-1-one #

Role

alias

Source

HERB_v2

Preferred

Name

2-Isopropyl-5-methyl-2-cyclohexen-1-one #

Role

alias

Source

TCMBank

Preferred

Name

2-Isopropyl-5-methyl-2-cyclohexen-1-one #

Role

alias

Source

itcmdb_public

Preferred

Name

2-isopropyl-5-methyl-cyclohex-2-en-1-one

Role

alias

Source

TCMBank

Preferred

Name

2-isopropyl-5-methylcyclohex-2-enone

Role

alias

Source

TCMBank

Preferred

Name

5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one

Role

alias

Source

itcmdb_public

Preferred

Name

5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one

Role

alias

Source

TCMBank

Preferred

Name

5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one

Role

alias

Source

HERB_v2

Preferred

Name

5-methyl-2-(propan-2-yl)cyclohex-2-en-1-one

Role

alias

Source

itcmdb_public

Preferred

Name

5-methyl-2-(propan-2-yl)cyclohex-2-en-1-one

Role

alias

Source

HERB_v2

Preferred

Name

5-methyl-2-isopropyl-2-cyclohexen1-one

Role

alias

Source

TCMBank

Preferred

Name

5-methyl-2-propan-2-ylcyclohex-2-en-1-one

Role

alias

Source

TCMBank

Preferred

Name

5113-66-6

Role

alias

Source

HERB_v2

Preferred

Name

5113-66-6

Role

alias

Source

TCMBank

Preferred

Name

5113-66-6

Role

alias

Source

itcmdb_public

Preferred

Name

AC1L321A

Role

alias

Source

TCMBank

Preferred

Name

AC1Q6CEV

Role

alias

Source

TCMBank

Preferred

Name

AKOS024330160

Role

alias

Source

HERB_v2

Preferred

Name

AKOS024330160

Role

alias

Source

itcmdb_public

Preferred

Name

AN-19961

Role

alias

Source

TCMBank

Preferred

Name

CTK1H2606

Role

alias

Source

TCMBank

Preferred

Name

DB-242441

Role

alias

Source

HERB_v2

Preferred

Name

DB-242441

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID00863490

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID00863490

Role

alias

Source

itcmdb_public

Preferred

Name

OAYBZGPDRAMDNF-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL6360973

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL6360973

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL6360973

Role

alias

Source

itcmdb_public

Preferred

Name

c1068

Role

alias

Source

TCMBank

Preferred

Name

p-Menth-4-en-3-one

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

(5R)-Menth-2-Enone(5R)-2-ISOPROPYL-5-METHYL-2-CYCLOHEXEN-1-ONE(5R)-2-Isopropyl-5-methylcyclohex-2-en-1-one(5R)-2-isopropyl-5-methyl-1-cyclohex-2-enone(5R)-2-isopropyl-5-methyl-cyclohex-2-en-1-one(5R)-5-methyl-2-propan-2-ylcyclohex-2-en-1-one(R)-2-Isopropyl-5-methylcyclohex-2-en-1-one(r)-4-menthenone1753-40-82-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)-2-Isopropyl-5-methyl-2-cyclohexen-1-one #2-isopropyl-5-methyl-cyclohex-2-en-1-one2-isopropyl-5-methylcyclohex-2-enone5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one5-methyl-2-(propan-2-yl)cyclohex-2-en-1-one5-methyl-2-isopropyl-2-cyclohexen1-one5-methyl-2-propan-2-ylcyclohex-2-en-1-one5113-66-6AC1L321AAC1Q6CEVAKOS024330160AN-19961CTK1H2606DB-242441DTXSID00863490OAYBZGPDRAMDNF-UHFFFAOYSA-NSCHEMBL6360973c1068

Cross References

Trusted external identifiers retained for this final record.

Cas

5113-66-6

Herb

HBIN011919HBIN040296

Npass

NPC310099

Tcmid

13765

Tcmsp

MOL001231MOL007909

Sym Map

SMIT00720SMIT03680

Pub Chem

10737211205871

Tcmbank

TCMBANKIN007442TCMBANKIN024196

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/h5,7-8H,4,6H2,1-3H3InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h5,7-8H,4,6H2,1-3H3/t8-/m1/s1

Mol Wt

152.237

Cas Id

5113-66-6

Smiles

CC1CC=C(C(=O)C1)C(C)C

Mol Log P

2.567800000000001

Version

v1,v2

In Ch Ikey

OAYBZGPDRAMDNF-MRVPVSSYSA-NOAYBZGPDRAMDNF-UHFFFAOYSA-N

Ob Score

61.1209365161.12093761.12161.7916795761.7916861.792

Suppress

Num Hdonors

Drug Likeness

0.564

Num Hacceptors

Isomeric Smiles

CC1CC=C(C(=O)C1)C(C)CC[C@@H]1CC=C(C(=O)C1)C(C)C

Molecule Weight

152.26

Canonical Smiles

CC1CC=C(C(=O)C1)C(C)C

Herb Alias Names

(r)-4-menthenone1753-40-8AKOS024330160(R)-2-Isopropyl-5-methylcyclohex-2-en-1-one(5R)-2-Isopropyl-5-methylcyclohex-2-en-1-one(5R)-2-ISOPROPYL-5-METHYL-2-CYCLOHEXEN-1-ONE

Molecular Weight

152.23

Molecule Formula

C10H16O

Molecular Formula

C10H16O

Molecular Formula

C10H16O

Num Rotatable Bonds