Notoamide O
PubChem CID: 102043608
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Notoamide O, (1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione, (1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro(1H-pyrano(2,3-g)indole-2,5'-6-oxa-10,15-diazatetracyclo(6.5.2.01,10.03,8)pentadecane)-3,9',14'-trione, (1'S,2S,3'S,7'S,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro(1H-pyrano(2,3-g)indole-2,5'-6-oxa-10,15-diazatetracyclo(6.5.2.01,10.03,8)pentadecane)-3,9',14'-trione, (1'S,2S,3'S,7'S,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione, CHEBI:198311 |
|---|---|
| Topological Polar Surface Area | 117.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1090.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione |
| Prediction Hob | 0.0 |
| Xlogp | 1.9 |
| Molecular Formula | C26H29N3O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZPXKISNDQRGXBE-OJUKFVNASA-N |
| Fcsp3 | 0.5769230769230769 |
| Logs | -4.484 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.241 |
| Compound Name | Notoamide O |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 479.206 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 479.206 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 479.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.338561742857145 |
| Inchi | InChI=1S/C26H29N3O6/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-26(18(14)30)23(3,4)16-12-24-9-5-11-29(24)20(32)25(16,21(33)35-26)28-19(24)31/h6-8,10,16,21,27,33H,5,9,11-12H2,1-4H3,(H,28,31)/t16-,21+,24-,25-,26+/m0/s1 |
| Smiles | CC1(C=CC2=C(O1)C=CC3=C2N[C@@]4(C3=O)C([C@@H]5C[C@]67CCCN6C(=O)[C@@]5([C@@H](O4)O)NC7=O)(C)C)C |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Agave Aurea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ajuga Spectabilis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Alstroemeria Revoluta (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Astragalus Tragacantha (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Baphia Nitida (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Callistemon Viminalis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Cissus Pallidiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Crataegus Davisii (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Crinum Erubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Cupressus Lawsoniana (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Emilia Sonchifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Encephalartos Altensteinii (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Eria Foetida (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Eupatorium Havanense (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Euphorbia Kamerunica (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Euphorbia Marginata (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Excoecaria Oppositifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Gardenia Collinsae (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Grindelia Acutifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Gymnosporia Senegalensis (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Jungermannia Hyalina (Plant) Rel Props:Source_db:cmaup_ingredients - 23. Outgoing r'ship
FOUND_INto/from Kobresia Nepalensis (Plant) Rel Props:Source_db:cmaup_ingredients - 24. Outgoing r'ship
FOUND_INto/from Ligularia Muliensis (Plant) Rel Props:Source_db:cmaup_ingredients - 25. Outgoing r'ship
FOUND_INto/from Litsea Aciculata (Plant) Rel Props:Source_db:cmaup_ingredients - 26. Outgoing r'ship
FOUND_INto/from Litsea Pulchella (Plant) Rel Props:Source_db:cmaup_ingredients - 27. Outgoing r'ship
FOUND_INto/from Marrubium Alysson (Plant) Rel Props:Source_db:cmaup_ingredients - 28. Outgoing r'ship
FOUND_INto/from Melampodium Heterophyllum (Plant) Rel Props:Source_db:cmaup_ingredients - 29. Outgoing r'ship
FOUND_INto/from Nuphar Lutea (Plant) Rel Props:Source_db:cmaup_ingredients - 30. Outgoing r'ship
FOUND_INto/from Pausinystalia Mayumbensis (Plant) Rel Props:Source_db:cmaup_ingredients - 31. Outgoing r'ship
FOUND_INto/from Pentzia Incana (Plant) Rel Props:Source_db:cmaup_ingredients - 32. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients - 33. Outgoing r'ship
FOUND_INto/from Prangos Pabularia (Plant) Rel Props:Source_db:cmaup_ingredients - 34. Outgoing r'ship
FOUND_INto/from Pronephrium Triphyllum (Plant) Rel Props:Source_db:cmaup_ingredients - 35. Outgoing r'ship
FOUND_INto/from Selliguea Feei (Plant) Rel Props:Source_db:cmaup_ingredients - 36. Outgoing r'ship
FOUND_INto/from Shuteria Involucrata (Plant) Rel Props:Source_db:cmaup_ingredients - 37. Outgoing r'ship
FOUND_INto/from Simaba Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 38. Outgoing r'ship
FOUND_INto/from Stevia Chamaedrys (Plant) Rel Props:Source_db:cmaup_ingredients - 39. Outgoing r'ship
FOUND_INto/from Teucrium Oxylepis (Plant) Rel Props:Source_db:cmaup_ingredients - 40. Outgoing r'ship
FOUND_INto/from Trifolium Subterraneum (Plant) Rel Props:Source_db:cmaup_ingredients - 41. Outgoing r'ship
FOUND_INto/from Trillium Camschatcense (Plant) Rel Props:Source_db:cmaup_ingredients - 42. Outgoing r'ship
FOUND_INto/from Ursinia Abrotanifolia (Plant) Rel Props:Source_db:cmaup_ingredients