IngredientID 37341

P-1-menthene

C10H18

Relationship Network

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Herb: 6Ingredient: 1Target: 3Links: 9

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 37341
Core Entity Id: 44712
Source Entity Count: 1
Preferred Name: P-1-menthene
Name En
Pubchem Id: 11815433
Smiles Canonical: CC1=CCC(CC1)C(C)C
Molecular Formula: C10H18
Molecular Weight: 138.2540
Inchikey: FAMJUFMHYAFYNU-SNVBAGLBSA-N
Inchi: InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3
Isomeric Smiles: CC1=CCC(CC1)C(C)C
Cas Id
Ob Score: 33.1749
Mol Logp: 3.3888
Num H Donors: 0
Num H Acceptors: 0
Num Rotatable Bonds: 1
Drug Likeness: 0.4870
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

()-P-Menth-1-Ene

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

()-P-Menth-1-Ene

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

()-p-Menth-1-ene

Role

preferred

Source

TCMBank

Preferred

Yes

Name

P-1-Menthene

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

P-1-menthene

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

P-1-menthene

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

P-menth-1-ene

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

P-menth-1-ene

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

p-1-menthene

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Δ1(7)-Menthene

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Δ1(7)-Menthene

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Δ1(7)-Menthene

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Δ1(7)-menthene

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Δ1(7)-menthene

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

生姜

Role

TCM_name

Source

TCMBank

Preferred

Name

SHENG JIANG

Role

TCM_name2

Source

TCMBank

Preferred

Name

Fresh Common Ginger

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(+)-Carvomenthene

Role

alias

Source

TCMBank

Preferred

Name

(-)-Carvomenthene

Role

alias

Source

itcmdb_public

Preferred

Name

(-)-Carvomenthene

Role

alias

Source

HERB_v2

Preferred

Name

(-)-p-Menth-1-ene

Role

alias

Source

itcmdb_public

Preferred

Name

(-)-p-Mentha-1-ene

Role

alias

Source

HERB_v2

Preferred

Name

(-)-p-Mentha-1-ene

Role

alias

Source

itcmdb_public

Preferred

Name

(4R)-1-methyl-4-propan-2-yl-cyclohexene

Role

alias

Source

TCMBank

Preferred

Name

(4R)-4-isopropyl-1-methyl-cyclohexene

Role

alias

Source

TCMBank

Preferred

Name

(4S)-1-methyl-4-propan-2-ylcyclohexene

Role

alias

Source

itcmdb_public

Preferred

Name

(4S)-1-methyl-4-propan-2-ylcyclohexene

Role

alias

Source

HERB_v2

Preferred

Name

(4S)-1-p-menthene

Role

alias

Source

HERB_v2

Preferred

Name

(4S)-1-p-menthene

Role

alias

Source

itcmdb_public

Preferred

Name

(R)-()-4-Isopropyl-1-methylcyclohexene

Role

alias

Source

TCMBank

Preferred

Name

(S)-1-p-menthene

Role

alias

Source

HERB_v2

Preferred

Name

(S)-1-p-menthene

Role

alias

Source

itcmdb_public

Preferred

Name

(S)-carvomenthene

Role

alias

Source

itcmdb_public

Preferred

Name

(S)-carvomenthene

Role

alias

Source

HERB_v2

Preferred

Name

1-Methyl-4-isopropyl-1-cyclohexene

Role

alias

Source

itcmdb_public

Preferred

Name

1-Methyl-4-isopropyl-1-cyclohexene

Role

alias

Source

HERB_v2

Preferred

Name

1-Methyl-4-isopropylcyclohexene

Role

alias

Source

itcmdb_public

Preferred

Name

1-Methyl-4-isopropylcyclohexene

Role

alias

Source

HERB_v2

Preferred

Name

1-methyl-4-propan-2-ylcyclohexene

Role

alias

Source

HERB_v2

Preferred

Name

1-methyl-4-propan-2-ylcyclohexene

Role

alias

Source

itcmdb_public

Preferred

Name

1-p-Menthene

Role

alias

Source

itcmdb_public

Preferred

Name

1-p-Menthene

Role

alias

Source

HERB_v2

Preferred

Name

1195-31-9

Role

alias

Source

HERB_v2

Preferred

Name

1195-31-9

Role

alias

Source

TCMBank

Preferred

Name

1195-31-9

Role

alias

Source

itcmdb_public

Preferred

Name

4-Isopropyl-1-methylcyclohexene

Role

alias

Source

itcmdb_public

Preferred

Name

4-Isopropyl-1-methylcyclohexene

Role

alias

Source

HERB_v2

Preferred

Name

499-94-5

Role

alias

Source

HERB_v2

Preferred

Name

499-94-5

Role

alias

Source

itcmdb_public

Preferred

Name

5502-88-5

Role

alias

Source

HERB_v2

Preferred

Name

5502-88-5

Role

alias

Source

itcmdb_public

Preferred

Name

63655_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

Cyclohexene, 1-methyl-4-(1-methylethyl)-

Role

alias

Source

HERB_v2

Preferred

Name

Cyclohexene, 1-methyl-4-(1-methylethyl)-

Role

alias

Source

itcmdb_public

Preferred

Name

Cyclohexene, 1-methyl-4-(1-methylethyl)-, (R)-

Role

alias

Source

TCMBank

Preferred

Name

EINECS 214-794-3

Role

alias

Source

TCMBank

Preferred

Name

Menthene

Role

alias

Source

itcmdb_public

Preferred

Name

Menthene

Role

alias

Source

HERB_v2

Preferred

Name

p-Menth-1-ene

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

()-P-Menth-1-EneP-menth-1-eneΔ1(7)-Menthene生姜SHENG JIANGFresh Common Ginger(+)-Carvomenthene(-)-Carvomenthene(-)-p-Menth-1-ene(-)-p-Mentha-1-ene(4R)-1-methyl-4-propan-2-yl-cyclohexene(4R)-4-isopropyl-1-methyl-cyclohexene(4S)-1-methyl-4-propan-2-ylcyclohexene(4S)-1-p-menthene(R)-()-4-Isopropyl-1-methylcyclohexene(S)-1-p-menthene(S)-carvomenthene1-Methyl-4-isopropyl-1-cyclohexene1-Methyl-4-isopropylcyclohexene1-methyl-4-propan-2-ylcyclohexene1-p-Menthene1195-31-94-Isopropyl-1-methylcyclohexene499-94-55502-88-563655_FLUKACyclohexene, 1-methyl-4-(1-methylethyl)-Cyclohexene, 1-methyl-4-(1-methylethyl)-, (R)-EINECS 214-794-3Menthene

Cross References

Trusted external identifiers retained for this final record.

Cas

1195-31-9

Herb

HBIN038536HBIN040288HBIN049176

Npass

NPC40197NPC80982NPC94901

Tcmid

1373513737

Tcmsp

MOL012239

Sym Map

SMIT13024SMIT16461SMIT16463

Pub Chem

1181543321671

Tcmbank

TCMBANKIN006147TCMBANKIN015107TCMBANKIN025522TCMBANKIN059988

Etcm Ingredient

Δ1(7)-Menthene

Itcmdb Generated

ITX-INGREDIENT-0A510FA94D10ITX-INGREDIENT-2DDAC503AF0BITX-INGREDIENT-D869773C9631ITX-INGREDIENT-F54AF19C2D95

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3/t10-/m1/s1

Mol Wt

138.254

Smiles

CC1=CCC(CC1)C(C)C

Mol Log P

3.388800000000002

Version

v1,v2

In Ch Ikey

FAMJUFMHYAFYNU-SNVBAGLBSA-NFAMJUFMHYAFYNU-UHFFFAOYSA-N

Ob Score

33.1749288433.17492933.175

Suppress

Tcm Name

生姜

Tcm Name2

SHENG JIANG

Mol2 Path

/TCM_database/2007_3d_all/13742.mol2

Reference

Num Hdonors

Tcm Name En

Fresh Common Ginger

Drug Likeness

0.487

Num Hacceptors

Isomeric Smiles

CC1=CCC(CC1)C(C)CCC1=CC[C@H](CC1)C(C)C

Molecule Weight

138.28

Canonical Smiles

CC1=CCC(CC1)C(C)C

Herb Alias Names

Cyclohexene, 1-methyl-4-(1-methylethyl)-1-p-MentheneMenthene5502-88-5p-Menth-1-eneCARVOMENTHENE1-methyl-4-propan-2-ylcyclohexene4-Isopropyl-1-methylcyclohexene1-Methyl-4-isopropyl-1-cyclohexene1-Methyl-4-isopropylcyclohexene

Molecular Weight

138.140

Molecular Weight

138.25138.25 g/mol

Molecular Formula

C10H18

Molecular Formula

C10H18

Molecular Formula

C10H18

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.024

Quantitative Estimate Of Drug Likeness（Qed）

0.487