1-Hydroxy-9H-carbazole-3-carbaldehyde
PubChem CID: 611174
Connections displayed (default: 10).
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| Compound Synonyms | Demethylmurrayanine, 123497-84-7, O-demethylmurrayanine, 1-Hydroxy-9H-carbazole-3-carbaldehyde, 1-Hydroxy-3-formyl-9H-carbazol, CHEBI:69932, 1-Hydroxy-9H-carbazole-3-carboxaldehyde, 3-Formyl-1-hydroxycarbazole, starbld0000797, CHEMBL479681, SCHEMBL11960245, OYSFFQUIYNEZKX-UHFFFAOYSA-N, HY-N3722, AKOS040761607, FS-9383, 1-Hydroxy-9H-carbazole-3-carbaldehyde #, DA-59929, CS-0024116, Q27138276 |
|---|---|
| Topological Polar Surface Area | 53.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-hydroxy-9H-carbazole-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C13H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OYSFFQUIYNEZKX-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.44 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.845 |
| Compound Name | 1-Hydroxy-9H-carbazole-3-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 211.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 211.063 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 211.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.253514 |
| Inchi | InChI=1S/C13H9NO2/c15-7-8-5-10-9-3-1-2-4-11(9)14-13(10)12(16)6-8/h1-7,14,16H |
| Smiles | C1=CC=C2C(=C1)C3=C(N2)C(=CC(=C3)C=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Anisata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Clausena Dentata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Clausena Dunniana (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Clausena Euchrestifolia (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Clausena Excavata (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Clausena Harmandiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Clausena Heptaphylla (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Clausena Indica (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Clausena Kanpurensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Clausena Lenis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Clausena Pentaphylla (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Clausena Suffruticosa (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Clausena Vestita (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Clausena Wampi (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Clausena Willdenowii (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Eurycoma Harmandiana (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Lansium Domesticum (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Lansium Parasiticum (Plant) Rel Props:Reference: