methyl 8-hydroxy-3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate
PubChem CID: 71623859
Connections displayed (default: 10).
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| Topological Polar Surface Area | 71.6 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 545.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 8-hydroxy-3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C19H17NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RSIOHXJKTPYYMI-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.815 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.191 |
| Compound Name | methyl 8-hydroxy-3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 323.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 323.116 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 323.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.513890933333334 |
| Inchi | InChI=1S/C19H17NO4/c1-19(2)7-6-11-15(24-19)5-4-13-16(11)12-8-10(18(22)23-3)9-14(21)17(12)20-13/h4-9,20-21H,1-3H3 |
| Smiles | CC1(C=CC2=C(O1)C=CC3=C2C4=C(N3)C(=CC(=C4)C(=O)OC)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bulbine Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cicer Cuneatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Croton Hutchinsonianus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Delphinium Speciosum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Griselinia Scandens (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Gutenbergia Marginata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Helicia Erratica (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Hyptis Urticoides (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Ipomoea Carnea (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Iris Sanguinea (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Monachosorum Maximowiczii (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Nardia Scalaris (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Otholobium Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Podocalyx Loranthoides (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Populus Candicans (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Rhododendron Edgeworthii (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Sarcophyton Infundibuliforme (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Trixis Grisebachii (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Yucca Elata (Plant) Rel Props:Source_db:cmaup_ingredients