IngredientID 24648

Limonene oxide

C10H16O

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: 9Ingredient: 1Target: 5Links: 14

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 24648
Core Entity Id: 30590
Source Entity Count: 1
Preferred Name: Limonene oxide
Name En
Pubchem Id: 441245
Smiles Canonical: CC(=C)C1CCC2(C(C1)O2)C
Molecular Formula: C10H16O
Molecular Weight: 152.2370
Inchikey: CCEFMUBVSUDRLG-UHFFFAOYSA-N
Inchi: InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3
Isomeric Smiles: CC(=C)C1CCC2(C(C1)O2)C
Cas Id
Ob Score
Mol Logp: 2.5201
Num H Donors: 0
Num H Acceptors: 1
Num Rotatable Bonds: 1
Drug Likeness: 0.4150
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Limonene Oxide

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Limonene Oxide

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Limonene oxide

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Limonene oxide

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Limonene oxide

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Trans-alpha-incense limonene

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Trans-alpha-incense limonene

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

1,2-Epoxy-p-menth-8-ene

Role

alias

Source

HERB_v2

Preferred

Name

1,2-Epoxy-p-menth-8-ene

Role

alias

Source

itcmdb_public

Preferred

Name

1,2-Epoxylimonene

Role

alias

Source

itcmdb_public

Preferred

Name

1,2-Epoxylimonene

Role

alias

Source

HERB_v2

Preferred

Name

1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane

Role

alias

Source

HERB_v2

Preferred

Name

1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane

Role

alias

Source

itcmdb_public

Preferred

Name

1195-92-2

Role

alias

Source

HERB_v2

Preferred

Name

1195-92-2

Role

alias

Source

itcmdb_public

Preferred

Name

7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-

Role

alias

Source

itcmdb_public

Preferred

Name

7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-

Role

alias

Source

HERB_v2

Preferred

Name

Limonene 1,2-epoxide

Role

alias

Source

HERB_v2

Preferred

Name

Limonene 1,2-epoxide

Role

alias

Source

itcmdb_public

Preferred

Name

Limonene 1,2-oxide

Role

alias

Source

itcmdb_public

Preferred

Name

Limonene 1,2-oxide

Role

alias

Source

HERB_v2

Preferred

Name

Limonene epoxide

Role

alias

Source

itcmdb_public

Preferred

Name

Limonene epoxide

Role

alias

Source

HERB_v2

Preferred

Name

Limonene monoxide

Role

alias

Source

itcmdb_public

Preferred

Name

Limonene monoxide

Role

alias

Source

HERB_v2

Preferred

Name

Limonene oxide

Role

alias

Source

itcmdb_public

Preferred

Name

Limonene oxide

Role

alias

Source

HERB_v2

Preferred

Name

(4R)-Limonene 1Beta,2Beta-Epoxide

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

(4R)-limonene 1beta,2beta-epoxide

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

(4r)-limonene 1beta,2beta-epoxide

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

(+)-cis-Limonene oxide

Role

alias

Source

itcmdb_public

Preferred

Name

(1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane

Role

alias

Source

HERB_v2

Preferred

Name

(1R,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

Role

alias

Source

itcmdb_public

Preferred

Name

13837-75-7

Role

alias

Source

HERB_v2

Preferred

Name

1beta,2beta-epoxy-4betaH-p-menth-8-ene

Role

alias

Source

HERB_v2

Preferred

Name

4680-24-4

Role

alias

Source

HERB_v2

Preferred

Name

KBX06MQJ5Y

Role

alias

Source

HERB_v2

Preferred

Name

cis-(+)-Limonene oxide

Role

alias

Source

HERB_v2

Preferred

Name

rel-(1R,4R,6S)-1-Methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane

Role

alias

Source

HERB_v2

Preferred

Name

Cis- Limonene Oxide

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

cis- Limonene oxide

Role

preferred

Source

TCMBank

Preferred

Yes

Name

cis-Limonene oxide

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

(1R,4R,6S)-4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:35669

Role

alias

Source

TCMBank

Preferred

Name

ZINC02545304

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Trans-alpha-incense limonene1,2-Epoxy-p-menth-8-ene1,2-Epoxylimonene1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane1195-92-27-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-Limonene 1,2-epoxideLimonene 1,2-oxideLimonene epoxideLimonene monoxide(4R)-Limonene 1Beta,2Beta-Epoxide(+)-cis-Limonene oxide(1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane(1R,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane13837-75-71beta,2beta-epoxy-4betaH-p-menth-8-ene4680-24-4KBX06MQJ5Ycis-(+)-Limonene oxiderel-(1R,4R,6S)-1-Methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptaneCis- Limonene Oxidecis-Limonene oxide(1R,4R,6S)-4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptaneCHEBI:35669ZINC02545304

Cross References

Trusted external identifiers retained for this final record.

Cas

4680-24-4

Herb

HBIN033249HBIN046710HBIN010875HBIN020877

Npass

NPC210316NPC79858NPC53403

Tcmid

33710377133582239847

Tcmsp

MOL002648

Sym Map

SMIT25062SMIT04853SMIT22987

Pub Chem

441245914966857487

Tcmbank

TCMBANKIN004639TCMBANKIN058699

Etcm Ingredient

(4R)-limonene 1beta,2beta-epoxidecis-Limonene oxide

Itcmdb Generated

ITX-INGREDIENT-67E61782FA62ITX-INGREDIENT-45EACCCF8B23ITX-INGREDIENT-86F1ACF72FDBITX-INGREDIENT-A5F9045FC0FE

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3

Mol Wt

152.237

Smiles

CC(=C)C1CCC2(C(C1)O2)C

Mol Log P

2.520100000000001

Version

In Ch Ikey

CCEFMUBVSUDRLG-UHFFFAOYSA-N

Suppress

Num Hdonors

Drug Likeness

0.415

Num Hacceptors

Isomeric Smiles

CC(=C)C1CCC2(C(C1)O2)C

Molecule Weight

152.26

Canonical Smiles

CC(=C)C1CCC2(C(C1)O2)C

Herb Alias Names

1195-92-2Limonene epoxideLimonene 1,2-epoxideLimonene monoxide1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptaneLimonene 1,2-oxide1,2-Epoxylimonene1,2-Epoxy-p-menth-8-ene7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-

Molecular Weight

152.120

Molecular Weight

152.23 g/mol

Molecular Formula

C10H16O

Molecular Formula

C10H16O

Molecular Formula

C10H16O

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.286

Quantitative Estimate Of Drug Likeness（Qed）

0.415