Chamuvarinin
PubChem CID: 11342455
Connections displayed (default: 10).
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| Compound Synonyms | chamuvarinin, (2S)-4-[(13R)-13-[(2R,5R)-5-[5-(6-hexyloxan-2-yl)oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one, (2S)-4-((13R)-13-((2R,5R)-5-(5-(6-hexyloxan-2-yl)oxolan-2-yl)oxolan-2-yl)-13-hydroxytridecyl)-2-methyl-2H-furan-5-one, CHEMBL457676, Q15410884 |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 43.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 813.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2S)-4-[(13R)-13-[(2R,5R)-5-[5-(6-hexyloxan-2-yl)oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one |
| Prediction Hob | 0.0 |
| Xlogp | 10.5 |
| Molecular Formula | C37H64O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IWOYCFRIFNMRSY-PWPZFVDCSA-N |
| Fcsp3 | 0.918918918918919 |
| Logs | -6.686 |
| Rotatable Bond Count | 21.0 |
| Logd | 5.418 |
| Compound Name | Chamuvarinin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 604.47 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 604.47 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 604.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.825760600000002 |
| Inchi | InChI=1S/C37H64O6/c1-3-4-5-15-19-30-20-17-22-33(41-30)34-25-26-36(43-34)35-24-23-32(42-35)31(38)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)40-37(29)39/h27-28,30-36,38H,3-26H2,1-2H3/t28-,30?,31+,32+,33?,34?,35+,36?/m0/s1 |
| Smiles | CCCCCCC1CCCC(O1)C2CCC(O2)[C@H]3CC[C@@H](O3)[C@@H](CCCCCCCCCCCCC4=C[C@@H](OC4=O)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Uvaria Acuminata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Uvaria Angolensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Uvaria Boniana (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Uvaria Calamistrata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Uvaria Chamae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Uvaria Cherrevensis (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Uvaria Dulcis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Uvaria Ferruginea (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Uvaria Grandiflora (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Uvaria Griffithii (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Uvaria Hookeri (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Uvaria Kirkii (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Uvaria Klaineana (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Uvaria Lucida (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Uvaria Macrophylla (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Uvaria Microcarpa (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Uvaria Mocoli (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Uvaria Narum (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Uvaria Rufa (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Uvaria Scheffleri (Plant) Rel Props:Reference: