Identification

PhytoHub ID
PHUB000137
Name
Matricin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
306.358
Monoisotopic Mass
306.146723808
Chemical Formula
C17H22O5
IUPAC Name
9-hydroxy-3,6,9-trimethyl-2-oxo-3H,3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate
InChI Key
SYTRJRUSWMMZLV-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3
SMILES
CC1C2C(OC1=O)C1C(C=CC1(C)O)=C(C)CC2OC(C)=O
Structure

Calculated Properties

Solubility (ALOGPS)
8.96e-01 g/l
LogS (ALOGPS)
-2.53
LogP (ALOGPS)
1.84
Hydrogen Acceptors
3
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
72.83000000000001
Refractivity
80.54149999999998
Polarizability
31.95338416497454
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.1333922856831586
pKa (strongest acidic)
14.235042785360864
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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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