Clausamine D
PubChem CID: 10041876
Connections displayed (default: 10).
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| Compound Synonyms | Clausamine D, clausamine, CHEMBL480857, Methyl 1-methoxy-4-(3-methylbut-2-enyl)-9H-carbazole-3-carboxylate, Methyl 1-methoxy-4-(3-methylbut-2-en-1-yl)-9H-carbazole-3-carboxylic acid, 256222-00-1 |
|---|---|
| Topological Polar Surface Area | 51.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 485.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 1-methoxy-4-(3-methylbut-2-enyl)-9H-carbazole-3-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C20H21NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YTUBOXOSIHCYQX-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -6.06 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.132 |
| Compound Name | Clausamine D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 323.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 323.152 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 323.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.154063733333333 |
| Inchi | InChI=1S/C20H21NO3/c1-12(2)9-10-13-15(20(22)24-4)11-17(23-3)19-18(13)14-7-5-6-8-16(14)21-19/h5-9,11,21H,10H2,1-4H3 |
| Smiles | CC(=CCC1=C2C3=CC=CC=C3NC2=C(C=C1C(=O)OC)OC)C |
| 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:Reference: - 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:Reference: - 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: