3,4,6,11-Tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizin-5-ol
PubChem CID: 101833782
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC3C4CCCCC4C4CCCCC4C3CC2C1 |
| Np Classifier Class | Isoquinoline alkaloids |
| Deep Smiles | COCCCCN5CccC6)cccccc6cc%10cccc6O))OC))))))))OC)))OC |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Phenanthrenes and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)C1CCCCC1C1CN3CCCC3CC21 |
| Classyfire Subclass | Phenanthroindolizidines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 604.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,6,11-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizin-5-ol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H27NO5 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)c1c(c3ccccc32)CN2CCCC2C1 |
| Inchi Key | IWZVSWZVXKAZJF-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | tyloindicine d |
| Esol Class | Moderately soluble |
| Functional Groups | COC(C)N(C)C, cO, cOC |
| Compound Name | 3,4,6,11-Tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizin-5-ol |
| Exact Mass | 409.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 409.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 409.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C24H27NO5/c1-27-18-8-6-15-17-12-25-13(5-10-20(25)29-3)11-16(17)14-7-9-19(28-2)24(30-4)22(14)21(15)23(18)26/h6-9,13,20,26H,5,10-12H2,1-4H3 |
| Smiles | COC1CCC2N1CC3=C4C=CC(=C(C4=C5C(=C3C2)C=CC(=C5OC)OC)O)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Tylophora Indica (Plant) Rel Props:Reference:ISBN:9788185042145