metabolite

Showing entry for Z-4-Hydroxymyrtenol

Identification

PhytoHub ID
PHUB003063
Name
Z-4-Hydroxymyrtenol
Systematic Name
Z-pin-2,3-4,10-diol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
168.236
Monoisotopic Mass
168.115029755
Chemical Formula
C10H16O2
IUPAC Name
(2S)-4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol
InChI Key
UINQEKTYJJUDKB-HACHORDNSA-N
InChI Identifier
InChI=1S/C10H16O2/c1-10(2)7-4-8(10)9(12)3-6(7)5-11/h3,7-9,11-12H,4-5H2,1-2H3/t7?,8?,9-/m0/s1
SMILES
CC1(C)C2CC1C(CO)=C[C@@H]2O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
40.46
Refractivity
47.9355
Polarizability
18.928457975118466
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.7381465983954714
pKa (strongest acidic)
14.443303018001433
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Spectra from Phytohub

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

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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