Annocherimolin
PubChem CID: 10258372
Connections displayed (default: 10).
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| Compound Synonyms | annocherimolin, (2S)-2-methyl-4-[(2R,11R)-2,7,11-trihydroxy-11-[(2R,5R)-5-[(Z,1R)-1-hydroxyheptadec-4-enyl]oxolan-2-yl]undecyl]-2H-furan-5-one, (2S)-2-methyl-4-((2R,11R)-2,7,11-trihydroxy-11-((2R,5R)-5-((Z,1R)-1-hydroxyheptadec-4-enyl)oxolan-2-yl)undecyl)-2H-furan-5-one, CHEMBL447154, 344940-10-9 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 44.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 797.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (2S)-2-methyl-4-[(2R,11R)-2,7,11-trihydroxy-11-[(2R,5R)-5-[(Z,1R)-1-hydroxyheptadec-4-enyl]oxolan-2-yl]undecyl]-2H-furan-5-one |
| Prediction Hob | 0.0 |
| Xlogp | 8.9 |
| Molecular Formula | C37H66O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UUZBYINALGBPKL-YOTNMGPASA-N |
| Fcsp3 | 0.8648648648648649 |
| Logs | -4.582 |
| Rotatable Bond Count | 27.0 |
| Logd | 4.404 |
| Compound Name | Annocherimolin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 622.481 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 622.481 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 622.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.546053600000004 |
| Inchi | InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-33(40)35-25-26-36(44-35)34(41)24-19-22-31(38)20-17-18-21-32(39)28-30-27-29(2)43-37(30)42/h14-15,27,29,31-36,38-41H,3-13,16-26,28H2,1-2H3/b15-14-/t29-,31?,32+,33+,34+,35+,36+/m0/s1 |
| Smiles | CCCCCCCCCCCC/C=C\CC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCC(CCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Atemoya (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Annona Bullata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Annona Cherimola (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Annona Cherimolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Annona Cornifolia (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Annona Glabra (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Annona Haematantha (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Annona Impressivenia (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Annona Montana (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Annona Muricata (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Annona Purpurea (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Annona Rensoniana (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Annona Reticulata (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Annona Spinescens (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Annona Stenophylla (Plant) Rel Props:Reference: