3,5-dimethyl-3-(4-methylpent-3-enyl)-9-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxy-11H-pyrano[3,2-a]carbazole
PubChem CID: 145982484
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| Compound Synonyms | CHEMBL4276982 |
|---|---|
| Topological Polar Surface Area | 34.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 884.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dimethyl-3-(4-methylpent-3-enyl)-9-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxy-11H-pyrano[3,2-a]carbazole |
| Prediction Hob | 0.0 |
| Xlogp | 9.2 |
| Molecular Formula | C33H41NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SNAWNJJFYAAIIY-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -3.034 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.407 |
| Compound Name | 3,5-dimethyl-3-(4-methylpent-3-enyl)-9-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxy-11H-pyrano[3,2-a]carbazole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 483.314 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 483.314 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 483.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.531337422222222 |
| Inchi | InChI=1S/C33H41NO2/c1-21(2)9-8-15-32(7)16-14-27-30-28(19-24(6)31(27)36-32)26-11-10-25(20-29(26)34-30)35-33(22(3)4)17-12-23(5)13-18-33/h9-12,14,16,19-20,22,34H,8,13,15,17-18H2,1-7H3 |
| Smiles | CC1=CCC(CC1)(C(C)C)OC2=CC3=C(C=C2)C4=C(N3)C5=C(C(=C4)C)OC(C=C5)(C)CCC=C(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Microphylla (Plant) Rel Props:Source_db:cmaup_ingredients