precursor

Showing entry for Cadinol

Identification

PhytoHub ID
PHUB000108
Name
Cadinol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
222.372
Monoisotopic Mass
222.198365457
Chemical Formula
C15H26O
IUPAC Name
α-cadinol
InChI Key
LHYHMMRYTDARSZ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3
SMILES
CC(C)C1CCC(C)(O)C2CCC(C)=CC12
Structure
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Calculated Properties

Solubility (ALOGPS)
5.57e-02 g/l
LogS (ALOGPS)
-3.60
LogP (ALOGPS)
3.52
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
69.43050000000001
Polarizability
27.804348680642452
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-0.5880059181230378
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP008387MassBankEI-B Spectrum - -, [M]+*View Spectra
JP010682MassBankEI-B Spectrum - -, [M]+*View Spectra
JP010694MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow

Metabolism

No metabolism information available

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