rel-15,16-Epoxy-7-oxopimar-8,14-ene
PubChem CID: 44179876
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL551467, rel-15,16-Epoxy-7-oxopimar-8,14-ene, (4aS,4bR,7S,10aS)-1,1,4a,7-tetramethyl-7-(oxiran-2-yl)-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one |
|---|---|
| Topological Polar Surface Area | 29.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 546.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (4aS,4bR,7S,10aS)-1,1,4a,7-tetramethyl-7-(oxiran-2-yl)-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C20H30O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AZVDGFALOQJRGB-BNERGVSPSA-N |
| Fcsp3 | 0.85 |
| Logs | -5.506 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.031 |
| Compound Name | rel-15,16-Epoxy-7-oxopimar-8,14-ene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 302.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 302.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6732396 |
| Inchi | InChI=1S/C20H30O2/c1-18(2)7-5-8-20(4)14-6-9-19(3,17-12-22-17)11-13(14)15(21)10-16(18)20/h11,14,16-17H,5-10,12H2,1-4H3/t14-,16-,17?,19-,20+/m0/s1 |
| Smiles | C[C@@]1(CC[C@H]2C(=C1)C(=O)C[C@@H]3[C@@]2(CCCC3(C)C)C)C4CO4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Plectranthus Amboinicus (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Plectranthus Ambonicus (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Plectranthus Barbatus (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Plectranthus Caninus (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Plectranthus Ernstii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Plectranthus Fruticosus (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Plectranthus Glabratus (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Plectranthus Glandulosus (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Plectranthus Hereroensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Plectranthus Lanuginosus (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Plectranthus Mollis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Plectranthus Myrianthus (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Plectranthus Nummularius (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Plectranthus Purpuratus (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Plectranthus Rotundifolius (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Plectranthus Scutellarioides (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Plectranthus Sylvestris (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Plectranthus Vettiveroides (Plant) Rel Props:Reference: