Clausamine B
PubChem CID: 10662509
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| Compound Synonyms | clausamine B, 6-methoxy-2-prop-1-en-2-yl-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one, 6-methoxy-2-prop-1-en-2-yl-2,7-dihydro-1H-pyrano(3,4-c)carbazol-4-one, CHEMBL479483, 205116-60-5 |
|---|---|
| Topological Polar Surface Area | 51.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-2-prop-1-en-2-yl-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C19H17NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JUASZGNNULZOET-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -5.793 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.642 |
| Compound Name | Clausamine B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 307.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 307.121 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 307.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.898324669565218 |
| Inchi | InChI=1S/C19H17NO3/c1-10(2)15-8-12-13(19(21)23-15)9-16(22-3)18-17(12)11-6-4-5-7-14(11)20-18/h4-7,9,15,20H,1,8H2,2-3H3 |
| Smiles | CC(=C)C1CC2=C3C4=CC=CC=C4NC3=C(C=C2C(=O)O1)OC |
| 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