[2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazol-3-yl] methyl carbonate
PubChem CID: 162924115
Connections displayed (default: 10).
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| Topological Polar Surface Area | 134.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 858.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazol-3-yl] methyl carbonate |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C28H20N2O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IPQLJRZESJFSPV-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -5.378 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.371 |
| Compound Name | [2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazol-3-yl] methyl carbonate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 496.127 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 496.127 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 496.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.7654450000000015 |
| Inchi | InChI=1S/C28H20N2O7/c1-35-14-7-8-16-17-9-13(12-31)26(32)23(24(17)30-20(16)10-14)22-21(37-28(34)36-2)11-18-15-5-3-4-6-19(15)29-25(18)27(22)33/h3-12,29-30,32-33H,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(N2)C(=C(C(=C3)C=O)O)C4=C(C=C5C6=CC=CC=C6NC5=C4O)OC(=O)OC |
| Nring | 6.0 |
| 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