Olean-12-ene-3,28-diol
PubChem CID: 608886
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| Compound Synonyms | Olean-12-ene-3.beta.,28-diol, Olean-12-ene-3,28-diol, (3.beta.)-, Oprea1_748027, Olean-12-ene-3,28-diol, Olean-12-ene-3,28-diol #, DTXSID00862160, PSZDOEIIIJFCFE-UHFFFAOYSA-N, AKOS000544483, DB-052606, AG-690/12868816 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | PSZDOEIIIJFCFE-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Substituent Name | Oleanane triterpenoid, Cyclic alcohol, Secondary alcohol, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic homopolycyclic compound |
| Synonyms | (3b)-Olean-12-ene-3,28-diol, (3beta)-Olean-12-ene-3,28-diol, (3β)-olean-12-ene-3,28-diol, 3b-Erythrodiol, 3b,28-Dihydroxy-ole-12-ene, 3beta-Erythrodiol, 3beta,28-Dihydroxy-ole-12-ene, 3β-erythrodiol, 3β,28-dihydroxy-ole-12-ene, Erythrodiol, Homoolestranol, Olean-12-ene-3beta,28-diol, Oleanolic alcohol |
| Heavy Atom Count | 32.0 |
| Compound Name | Olean-12-ene-3,28-diol |
| Kingdom | Organic compounds |
| Description | Found in grapes, olives, pot marigold (Calendula officinalis) and other plants Erythrodiol is a pentacyclic triterpene, found in the non-glyceride fraction of olive pomace oil (Olive pomace oil, also known as "orujo" olive oil, is a blend of refined-pomace oil and virgin olive oil, fit for human consumption). Pentacyclic triterpenes are natural compounds which are widely distributed in plants. These natural products have been demonstrated to possess anti-inflammatory properties. Triterpenoids have been reported to possess antioxidant properties, since they prevent lipid peroxidation and suppress superoxide anion generation. The triterpenes have a history of medicinal use in many Asian countries. Erythrodiol exhibits both pro- and anti-inflammatory properties depending on chemical structure and dose and may be useful in modulating the immune response, further studies are required to confirm the immunomodulatory behaviour of this triterpenoid, and characterise the mechanisms underlying the biphasic nature of some aspects of the inflammatory response. (PMID: 17292619, 15522132) |
| Exact Mass | 442.381 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 442.381 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 810.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 442.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Prenol lipids |
| Inchi | InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3 |
| Smiles | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)CO)C |
| Xlogp | 7.6 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Triterpenoids |
| Molecular Formula | C30H50O2 |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:fooddb_chem_all