Identification

PhytoHub ID
PHUB000140
Name
Nobilin
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
346.423
Monoisotopic Mass
346.178023937
Chemical Formula
C20H26O5
IUPAC Name
9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate
InChI Key
QFINJHBXXJQKPB-QLDBJWRKNA-N
InChI Identifier
InChI=1/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10+
SMILES
[H]\C(C)=C(/C)C(=O)OC1C\C(C)=C([H])\CC(O)\C(C)=C([H])\C2OC(=O)C(=C)C12
Structure

Calculated Properties

Solubility (ALOGPS)
9.95e-02 g/l
LogS (ALOGPS)
-3.54
LogP (ALOGPS)
2.15
Hydrogen Acceptors
3
Hydrogen Donors
1
Rotatable Bond Count
3
Polar Surface Area
72.83
Refractivity
96.86239999999998
Polarizability
37.41075713010042
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9935354730536687
pKa (strongest acidic)
14.554784191941438
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Precursor

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Chamomile teaTeas and herbal teas PublicationsShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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