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

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Chamomile teaTeas and herbal teas PublicationsShow

Metabolism

No metabolism information available

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