3,4,5,6-Tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
PubChem CID: 15627984
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC3C4CCCCC4C4CCCCC4C3CC2C1 |
| Np Classifier Class | Isoquinoline alkaloids |
| Deep Smiles | COcccccc6OC)))cccc6CNCCCC5C9)))))))))cccc6OC)))OC |
| Heavy Atom Count | 29.0 |
| Classyfire Class | Phenanthrenes and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)C1CCCCC1C1CN3CCCC3CC21 |
| Classyfire Subclass | Phenanthroindolizidines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 573.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H27NO4 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)c1c(c3ccccc32)CN2CCCC2C1 |
| Inchi Key | FAGLRYVRVBPJIP-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | tyloindicine a |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, cOC |
| Compound Name | 3,4,5,6-Tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine |
| Exact Mass | 393.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 393.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 393.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C24H27NO4/c1-26-19-9-7-15-17-12-14-6-5-11-25(14)13-18(17)16-8-10-20(27-2)24(29-4)22(16)21(15)23(19)28-3/h7-10,14H,5-6,11-13H2,1-4H3 |
| Smiles | COC1=C(C2=C3C(=C4CN5CCCC5CC4=C2C=C1)C=CC(=C3OC)OC)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