Nagilactone G
PubChem CID: 71300384
Connections displayed (default: 10).
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| Compound Synonyms | NAGILACTONE G, 2,3-Dihydropodolide, Podolactone B, 1,2-deepoxy-3,15,16-trideoxy-, NSC 306213, 54267-49-1, (1S,2R,4R,5R,10S,14S,17R)-10,14-dimethyl-5-propan-2-yl-3,6,16-trioxapentacyclo(8.6.1.02,4.04,9.014,17)heptadec-8-ene-7,15-dione, (1S,2R,4R,5R,10S,14S,17R)-10,14-dimethyl-5-propan-2-yl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione, CHEMBL4206137 |
|---|---|
| Topological Polar Surface Area | 65.099 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 696.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1S,2R,4R,5R,10S,14S,17R)-10,14-dimethyl-5-propan-2-yl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C19H24O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CBWGBTDKXAPUMY-DXNUVPBBSA-N |
| Fcsp3 | 0.7894736842105263 |
| Logs | -4.547 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.665 |
| Compound Name | Nagilactone G |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 332.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 332.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4854552000000005 |
| Inchi | InChI=1S/C19H24O5/c1-9(2)14-19-10(8-11(20)22-14)17(3)6-5-7-18(4)13(17)12(15(19)24-19)23-16(18)21/h8-9,12-15H,5-7H2,1-4H3/t12-,13+,14+,15+,17+,18-,19+/m0/s1 |
| Smiles | CC(C)[C@@H]1[C@]23[C@H](O2)[C@@H]4[C@@H]5[C@@](C3=CC(=O)O1)(CCC[C@@]5(C(=O)O4)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myrica Nagi (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Podocarpus Amarus (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Podocarpus Blumei (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Podocarpus Dacrydioides (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Podocarpus Elatus (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Podocarpus Elongata (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Podocarpus Elongatu (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Podocarpus Elongatus (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Podocarpus Hallii (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Podocarpus Henckelii (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Podocarpus Macrophyllus (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Podocarpus Minor (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Podocarpus Montanus (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Podocarpus Nagi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Podocarpus Nakaii (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Podocarpus Neriifolius (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Podocarpus Nivalis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Podocarpus Nubigenus (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Podocarpus Philippinensis (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Podocarpus Polystachyus (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Podocarpus Salignus (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Podocarpus Sellowii (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Podocarpus Spicatus (Plant) Rel Props:Reference: