Clausine E
PubChem CID: 5315951
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| Compound Synonyms | Clausine E, 182261-83-2, methyl 1-hydroxy-9H-carbazole-3-carboxylate, CHEBI:69930, 9H-Carbazole-3-carboxylic acid, 1-hydroxy-, methyl ester, CHEMBL235934, BDBM50417867, HY-N10340, AKOS040763681, FS-7406, CS-0380745, Methyl 1-hydroxy-9H-carbazole-3-carboxylic acid, Q27138274 |
|---|---|
| Topological Polar Surface Area | 62.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 333.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | methyl 1-hydroxy-9H-carbazole-3-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C14H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZWPODTIRGFOENJ-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -4.163 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.495 |
| Compound Name | Clausine E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 241.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 241.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 241.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5525696444444446 |
| Inchi | InChI=1S/C14H11NO3/c1-18-14(17)8-6-10-9-4-2-3-5-11(9)15-13(10)12(16)7-8/h2-7,15-16H,1H3 |
| Smiles | COC(=O)C1=CC2=C(C(=C1)O)NC3=CC=CC=C32 |
| 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 Excavata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Clausena Harmandiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Clausena Vestita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all