methyl 1,6-dihydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carboxylate
PubChem CID: 71623800
Connections displayed (default: 10).
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| Topological Polar Surface Area | 82.6 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 1,6-dihydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C19H19NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XYOGEVAARAVQHR-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.317 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.709 |
| Compound Name | methyl 1,6-dihydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 325.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 325.131 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 325.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.803890133333334 |
| Inchi | InChI=1S/C19H19NO4/c1-10(2)4-5-12-15(21)7-6-14-17(12)13-8-11(19(23)24-3)9-16(22)18(13)20-14/h4,6-9,20-22H,5H2,1-3H3 |
| Smiles | CC(=CCC1=C(C=CC2=C1C3=C(N2)C(=CC(=C3)C(=O)OC)O)O)C |
| Nring | 3.0 |
| 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