Griseoviridin
PubChem CID: 11225326
Connections displayed (default: 10).
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| Compound Synonyms | Griseoviridin, UNII-6PM4UNE85T, (-)-GRISEOVIRIDIN, 6PM4UNE85T, GRISEOVIRIDIN [MI], 53216-90-3, GRISEOVIRIDIN, (-)-, 20-O-DEMETHYLGRISEOVIRIDIN C, (1S,9R,11S,12E,14E,19Z,22R)-9,11-dihydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.14,7]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione, 6,23-DIOXA-26-THIA-2,17,27-TRIAZATRICYCLO(17.5.2.14,7)HEPTACOSA-4,7(27),12,14,19-PENTAENE-3,18,24-TRIONE, 9,11-DIHYDROXY-22-METHYL-, (1S,9R,11S,12E,14E,19Z,22R)-, 1393-90-4, Q27265286 |
|---|---|
| Topological Polar Surface Area | 176.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 816.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,9R,11S,12E,14E,19Z,22R)-9,11-dihydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.14,7]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione |
| Prediction Hob | 0.0 |
| Xlogp | 1.3 |
| Molecular Formula | C22H27N3O7S |
| Prediction Swissadme | 0.0 |
| Inchi Key | UXWOXTQWVMFRSE-JCSRQJCQSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -2.536 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.893 |
| Compound Name | Griseoviridin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 477.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 477.157 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 477.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.166563012121213 |
| Inchi | InChI=1S/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2+,5-3+,18-7-/t13-,14-,15-,17-/m1/s1 |
| Smiles | C[C@@H]1C/C=C\2/C(=O)NC/C=C/C=C/[C@H](C[C@H](CC3=NC(=CO3)C(=O)N[C@H](CS2)C(=O)O1)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Gigantea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Andropogon Nardus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Clibadium Pentaneuron (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Croton Californicus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Croton Sparsiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Culcitium Canescens (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Dendrobium Rotundatum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Eriostemon Fitzgeraldii (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Espeletia Marcana (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Malva Crispa (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Neoalsomitra Integrifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Nolina Erumpens (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Petasites Niveus (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Picrorhiza Kurrooa (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Piptolepis Leptospermoides (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Ratibida Latipalearis (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Solanum Toxicarium (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Toxicodendron Succedaneum (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Weddellina Squamulosa (Plant) Rel Props:Source_db:cmaup_ingredients