precursor metabolite

Showing entry for Maslinic acid

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][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[[email protected]](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
Structure
Similar Structures

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 Food Phytochemical

Family
Terpenoids
Class
Triterpenoids
Sub-class
Miscellaneous triterpenoids

Taxonomy as Metabolite

Metabolite Family
Terpenoid metabolites
Metabolite Class
Miscellaneous terpenoid metabolites
Metabolite Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
Maslinic acidTerpenoidsTriterpenoidsMiscellaneous triterpenoidsShow Food Phytochemical

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
AppleFruit, Pomes PublicationsShow
Olive oilFats and oils PublicationsShow

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
Maslinic acidAppleFruit, Pomes PublicationsShow
Maslinic acidOlive oilFats and oils PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Maslinic acid Maslinic acidhumanplasmaunchanged3h-5h<20 nmol/LNot AvailableC30H48O4472.355260026 Detailed Intervention Studies Publications

Inter-Individual Variations Metabolism

Food PhytochemicalMetaboliteEffectValue
Maslinic acid Maslinic acidBMINot studied
Maslinic acid Maslinic acidSmokingNot studied
Maslinic acid Maslinic acidEthnicityNot studied
Maslinic acid Maslinic acidGenotypeNot studied
Maslinic acid Maslinic acidMicrobiotaNot studied
Maslinic acid Maslinic acidSexNot studied
Maslinic acid Maslinic acidAgeNot studied
Maslinic acid Maslinic acidHealth-StatusNot studied
Maslinic acid Maslinic acidBMINot studied
Maslinic acid Maslinic acidSmokingNot studied
Maslinic acid Maslinic acidEthnicityNot studied
Maslinic acid Maslinic acidGenotypeNot studied
Maslinic acid Maslinic acidMicrobiotaNot studied
Maslinic acid Maslinic acidSexNot studied
Maslinic acid Maslinic acidAgeNot studied
Maslinic acid Maslinic acidHealth-StatusNot studied
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