Clausamine A
PubChem CID: 9994522
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| Compound Synonyms | clausamine A, 6-hydroxy-2-prop-1-en-2-yl-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one, 6-hydroxy-2-prop-1-en-2-yl-2,7-dihydro-1H-pyrano(3,4-c)carbazol-4-one, CHEMBL479682, 205116-59-2 |
|---|---|
| Topological Polar Surface Area | 62.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 491.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-2-prop-1-en-2-yl-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C18H15NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZIULAOJCWJBSFK-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.825 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.342 |
| Compound Name | Clausamine A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 293.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 293.105 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 293.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.688469127272727 |
| Inchi | InChI=1S/C18H15NO3/c1-9(2)15-8-11-12(18(21)22-15)7-14(20)17-16(11)10-5-3-4-6-13(10)19-17/h3-7,15,19-20H,1,8H2,2H3 |
| Smiles | CC(=C)C1CC2=C3C4=CC=CC=C4NC3=C(C=C2C(=O)O1)O |
| Nring | 4.0 |
| 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