Identification

PhytoHub ID
PHUB000175
Name
Maslinic acid
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
472.71
Monoisotopic Mass
472.355260026
Chemical Formula
C30H48O4
IUPAC Name
(4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
InChI Key
MDZKJHQSJHYOHJ-RRJQVOCQNA-N
InChI Identifier
InChI=1/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/s2
SMILES
[H][[email protected]@]12CC(C)(C)CC[[email protected]@]1(CC[[email protected]]1(C)C2=CC[[email protected]]2([H])[[email protected]@]3(C)C[[email protected]@H](O)[[email protected]](O)C(C)(C)[[email protected]]3([H])CC[[email protected]@]12C)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
4.04e-03 g/l
LogS (ALOGPS)
-5.07
LogP (ALOGPS)
6.06
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
1
Polar Surface Area
77.75999999999999
Refractivity
134.98600000000002
Polarizability
55.85611327924355
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.1598164618201197
pKa (strongest acidic)
4.744259192011683
Number of Rings
5
Rule of Five
No
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Precursor

Family
Terpenoids
Class
Triterpenoids
Sub-class
Miscellaneous triterpenoids

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
AppleFruit, Pomes PublicationsShow

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No data on inter-individual variations available

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