Chrestfoline C
PubChem CID: 375157
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| Compound Synonyms | Chrestfoline C, 11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole, 11-((1-methoxy-9H-carbazol-3-yl)methyl)-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano(3,2-a)carbazole, NSC654291, CHEMBL502119, NSC-654291, NCI60_018855 |
|---|---|
| Topological Polar Surface Area | 39.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 989.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole |
| Prediction Hob | 0.0 |
| Xlogp | 9.6 |
| Molecular Formula | C37H36N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WZDZCOAWFXDCTD-UHFFFAOYSA-N |
| Fcsp3 | 0.2432432432432432 |
| Logs | -7.656 |
| Rotatable Bond Count | 6.0 |
| Logd | 5.828 |
| Compound Name | Chrestfoline C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 540.278 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 540.278 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 540.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.319951692682926 |
| Inchi | InChI=1S/C37H36N2O2/c1-23(2)11-10-17-37(4)18-16-28-35-30(19-24(3)36(28)41-37)27-13-7-9-15-32(27)39(35)22-25-20-29-26-12-6-8-14-31(26)38-34(29)33(21-25)40-5/h6-9,11-16,18-21,38H,10,17,22H2,1-5H3 |
| Smiles | CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)N(C4=CC=CC=C42)CC5=CC6=C(C(=C5)OC)NC7=CC=CC=C76 |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Euchrestifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all