Decahydro-3,5a-dimethyl-9-methylene-8H-oxireno(7,8)naphtho(8a,1-b)furan-8-one
PubChem CID: 536300
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| Compound Synonyms | 7,9a-dimethyl-4-methylidenedecahydro-3H-oxireno[7,8]naphtho[8a,1-b]furan-3-one, 78148-52-4, Decahydro-3,5a-dimethyl-9-methylene-8H-oxireno[7,8]naphtho[8a,1-b]furan-8-one, Decahydro-3,5a-dimethyl-9-methylene-8H-oxireno(7,8)naphtho(8a,1-b)furan-8-one, DTXSID101139259, BCP27596, STL372890, AKOS040894260, LS-14420, 4,5-Epoxy-11(13)-cadinen-12,6-olide, SR-01000314294, SR-01000314294-1, 3,5a-Dimethyl-9-methylenedecahydro-8H-oxireno[2',3':7,8]naphtho[8a,1-b]furan-8-one #, 8,12-dimethyl-4-methylidene-2,13-dioxatetracyclo[7.5.0.0(1),?.0(1)(2),(1)?]tetradecan-3-one |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 457.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,12-dimethyl-4-methylidene-2,13-dioxatetracyclo[7.5.0.01,5.012,14]tetradecan-3-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 2.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Terpene lactones |
| Molecular Formula | C15H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QWQSMEDUZQDVLA-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Decahydro-3,5a-dimethyl-9-methylene-8H-oxireno(7,8)naphtho(8a,1-b)furan-8-one |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 248.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -3.0049963999999996 |
| Inchi | InChI=1S/C15H20O3/c1-8-4-5-11-9(2)12(16)17-15(11)10(8)6-7-14(3)13(15)18-14/h8,10-11,13H,2,4-7H2,1,3H3 |
| Smiles | CC1CCC2C(=C)C(=O)OC23C1CCC4(C3O4)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cadinanolides |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients