Maslinic acid
precursor
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
- maslinic 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
Structure for Maslinic acid
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
External Links
- ChEBI
- 66682
- PubChem
- 73659
- MetaboLights
- MTBLC66682
Taxonomy
- Family
- Terpenoids
- Class
- Triterpenoids
- Sub-class
- Miscellaneous triterpenoids
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Apple | Fruit, Pomes | Publications | Show |
Metabolism
No metabolism information available