PhytoHub: Showing entry for Bisabolen-beta

Bisabolen-beta

Identification

PhytoHub ID

PHUB000103

Name

Bisabolen-beta

Systematic Name

Not Available

Synonyms

1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene

CAS Number

Not Available

Average Mass

204.357

Monoisotopic Mass

204.187800773

Chemical Formula

C₁₅H₂₄

IUPAC Name

1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene

InChI Key

XZRVRYFILCSYSP-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3

SMILES

CC(C)=CCCC(=C)C1CCC(C)=CC1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 8.41e-03 g/l
LogS (ALOGPS): -4.39
LogP (ALOGPS): 6.01
Hydrogen Acceptors: 0
Hydrogen Donors: 0
Rotatable Bond Count: 4
Polar Surface Area: 0.0
Refractivity: 70.2829
Polarizability: 26.968050095548023
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): Not Available
pKa (strongest acidic): Not Available
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: Yes
MDDR-like Rule: No

External Links

ChEBI: 49249
PubChem: 403919
MetaboLights: MTBLC49249
PeakForestCompound: 000095

Taxonomy as Food Phytochemical

Family: Terpenoids
Class: Sesquiterpenoids
Sub-class: Not Available

Spectra from Phytohub

	Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Food Sources

	Name	Group
	Ginger	Herbs and Spices	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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Showing entry for Bisabolen-beta