Identification

PhytoHub ID
PHUB000100
Name
Achillin
Synonyms
  • Santolin
CAS Number
Not Available
Average Mass
246.306
Monoisotopic Mass
246.12559444
Chemical Formula
C15H18O3
IUPAC Name
achillin
InChI Key
BJPSSVHNEGMBDQ-OAACRXHESA-N
InChI Identifier
InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10+,13+,14+/m1/s1
SMILES
[H][C@@]12CCC(C)=C3C(=O)C=C(C)[C@]3([H])[C@@]1([H])OC(=O)[C@@H]2C
Structure

Calculated Properties

Solubility (ALOGPS)
3.93e-01 g/l
LogS (ALOGPS)
-2.80
LogP (ALOGPS)
2.18
Hydrogen Acceptors
2
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
43.370000000000005
Refractivity
68.71629999999999
Polarizability
26.880693864189247
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.144736140763016
pKa (strongest acidic)
15.413396323654869
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Taxonomy

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
BML80680MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra
BML80681MassBankLC-ESI-QTOF Spectrum - -, unspecifiedView Spectra

Food Sources

NameGroup
Chamomile teaTeas and herbal teas PublicationsShow

Metabolism

No metabolism information available

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