Tylophorine
PubChem CID: 92114
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| Compound Synonyms | Tylophorine, 482-20-2, Tylophorin, (+)-(S)-Tylophorine, UNII-O41630Y8V3, 2,3,6,7-Tetramethoxyphenanthro(9,10:6,7')indolizidine, NSC 76387, NSC-76387, NSC-717335, O41630Y8V3, TYLOPHORINE, (+)-, NSTP-0G01, CHEBI:9786, (+)-Tylophorine, (13aS)-2,3,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine, (S)-9,11,12,13,13a,14-Hexahydro-2,3,6,7-tetramethoxydibenzo(f,h)pyrrol o(1,2-b)isoquinoline, (13AS)-9,11,12,13,13A,14-HEXAHYDRO-2,3,6,7-TETRAMETHOXYDIBENZO(F,H)PYRROLO(1,2-B)ISOQUINOLINE, (S)-2,3,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline, (S)-9,11,12,13,13a,14-Hexahydro-2,3,6,7-tetramethoxydibenzo(f,h)pyrrolo(1,2-b)isoquinoline, DIBENZO(F,H)PYRROLO(1,2-B)ISOQUINOLINE, 9,11,12,13,13A,14-HEXAHYDRO-2,3,6,7-TETRAMETHOXY-, (13AS)-, Dibenzo(f,h)pyrrolo(1,2-b)isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, (S)-, Dibenzo[f,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, (S)-, (S)-9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxydibenzo[f,h]pyrrol o(1,2-b)isoquinoline, (S)-9,11,12,13,13a,14-Hexahydro-2,3,6,7-tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinoline, S(+)-Tylophorine, TYLOPHORINE [MI], SCHEMBL523625, CHEMBL250426, DTXSID30964025, GLXC-04594, NSC76387, NSC717335, AKOS027326841, NCI60_040526, NCI60_041685, DB-224813, HY-122324, NS00093881, Q27108498, 2,6,7-Tetramethoxyphenanthro[9,10:6',7']indolizidine, 2,3,6,7-Tetramethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline, 9,12,13,13a,14-Hexahydro-2,3,6,7-tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinoline, Dibenzo[f,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, Dibenzo[f,2-b]isoquinoline,9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, (13aS)- |
|---|---|
| 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 | Indolizidine alkaloids |
| Deep Smiles | COccccC[C@@H]CCCN5Cc9ccc%13cc%17OC)))))cccc6)OC)))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 | 1.0 |
| Iupac Name | (13aS)-2,3,6,7-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 | SSEUDFYBEOIWGF-AWEZNQCLSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2,3,6,7-tetramethoxy-phenanthro [9,10,6,7] indolizidine (tylophorine), 2,3,6,7-tetramethoxy-phenanthro [9,10_6,7] indolizidine (tylophorine), tylophorine |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, cOC |
| Compound Name | Tylophorine |
| 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/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3/t14-/m0/s1 |
| Smiles | COC1=C(C=C2C(=C1)C3=C(CN4CCC[C@H]4C3)C5=CC(=C(C=C52)OC)OC)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Telosma Pallida (Plant) Rel Props:Reference:ISBN:9788185042084 - 2. Outgoing r'ship
FOUND_INto/from Tylophora Indica (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 3. Outgoing r'ship
FOUND_INto/from Tylophora Ovata (Plant) Rel Props:Reference:ISBN:9788185042138 - 4. Outgoing r'ship
FOUND_INto/from Vincetoxicum Hirundinaria (Plant) Rel Props:Reference:ISBN:9788185042053