A'-Neo-26,28-dinorgammacer-9(11)-ene, 3-methoxy-13,17-dimethyl-, (3beta,21beta)-
PubChem CID: 623592
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| Compound Synonyms | A'-Neo-26,28-dinorgammacer-9(11)-ene, 3-methoxy-13,17-dimethyl-, (3beta,21beta)-, Fernenol methyl ether, D:C-Friedo-B':A'-neogammacer-9(11)-ene, 3.beta.-methoxy-, D:C-Friedo-B':A'-neogammacer-9(11)-ene, 3-methoxy-, (3.beta.)-, 3-Isopropyl-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene # |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | MRNPHCMRIQYRFU-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | 3b-Methoxy-9(11)-arborinene, Cylindrin, 3b-Methoxy-9(11)-fernene, Arundoin |
| Heavy Atom Count | 32.0 |
| Compound Name | A'-Neo-26,28-dinorgammacer-9(11)-ene, 3-methoxy-13,17-dimethyl-, (3beta,21beta)- |
| Kingdom | Organic compounds |
| Description | Cylindrin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Cylindrin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cylindrin can be found in rice, which makes cylindrin a potential biomarker for the consumption of this food product. |
| Exact Mass | 440.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.402 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 792.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 440.7 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene |
| Total Atom Stereocenter Count | 9.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Prenol lipids |
| Inchi | InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3 |
| Smiles | CC(C)C1CCC2C1(CCC3(C2(CC=C4C3CCC5C4(CCC(C5(C)C)OC)C)C)C)C |
| Xlogp | 9.5 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Triterpenoids |
| Taxonomy Direct Parent | Triterpenoids |
| Molecular Formula | C31H52O |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all