Eurycolactone F
PubChem CID: 10938426
Connections displayed (default: 10).
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| Compound Synonyms | Eurycolactone F, [(1R,2R,3S,7S,8R,9S,12S,13R,14R,15R,16R)-3,14,15-Trihydroxy-2,6,13,16-tetramethyl-4,11-dioxo-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-5-en-8-yl] acetate |
|---|---|
| Topological Polar Surface Area | 130.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 819.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 11.0 |
| Iupac Name | [(1R,2R,3S,7S,8R,9S,12S,13R,14R,15R,16R)-3,14,15-trihydroxy-2,6,13,16-tetramethyl-4,11-dioxo-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-5-en-8-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C21H28O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ISBJOLOXURAMQV-KGZQRRCKSA-N |
| Fcsp3 | 0.7619047619047619 |
| Logs | -4.913 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.436 |
| Compound Name | Eurycolactone F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 408.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 408.178 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 408.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2529714000000007 |
| Inchi | InChI=1S/C21H28O8/c1-7-6-10(23)17(26)20(4)11(7)15(28-9(3)22)18-21(5)12(19(27)29-18)8(2)13(24)14(25)16(20)21/h6,8,11-18,24-26H,1-5H3/t8-,11-,12-,13-,14+,15-,16-,17-,18-,20+,21+/m1/s1 |
| Smiles | C[C@H]1[C@H]([C@@H]([C@H]2[C@@]3([C@H]1C(=O)O[C@@H]3[C@@H]([C@@H]4[C@@]2([C@@H](C(=O)C=C4C)O)C)OC(=O)C)C)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aralidium Pinnatifidum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bersama Swinnyi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Blainvillea Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cheilanthes Marantae (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Euphorbia Resinifera (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Eurycoma Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Geigeria Schinzii (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Goniothalamus Undulatus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Helichrysum Angustifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Helichrysum Sutherlandii (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Leontice Kiangnanensis (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Lophocereus Marginatus (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Ophryosporus Charua (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Pachycereus Pringlei (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Papaver Radicatum (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Pinus Glauca (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Prosopis Kuntzei (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Pteris Spinulosa (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Stenocereus Thurberi (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients