13,16-Dimethyl-19-propan-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene
PubChem CID: 101324894
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| Ghose Rule | False |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 25.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1C2CCC2CC3CCCC(C3)C21 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | CCCCCCCC6ccO6)cC)ccc6[nH]cc5cccc6)))))))))))))))C)))))C |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CC2CC(C1)C1C(CCC3C4CCCCC4NC31)O2 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 13,16-dimethyl-19-propan-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 6.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H27NO |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1c3c(ccc12)OC1CCCC3C1 |
| Inchi Key | GERWGWCJTWPXEG-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | exozoline |
| Esol Class | Poorly soluble |
| Functional Groups | cOC, c[nH]c |
| Compound Name | 13,16-Dimethyl-19-propan-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene |
| Exact Mass | 333.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 333.209 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 333.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C23H27NO/c1-13(2)15-9-10-23(4)12-18(15)20-21-17(11-14(3)22(20)25-23)16-7-5-6-8-19(16)24-21/h5-8,11,13,15,18,24H,9-10,12H2,1-4H3 |
| Smiles | CC1=CC2=C(C3=C1OC4(CCC(C3C4)C(C)C)C)NC5=CC=CC=C52 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Reference:ISBN:9788172360818