Eburnamine
PubChem CID: 101699
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| Compound Synonyms | Eburnamine, (-)-Eburnamine, 4201-84-7, 473-99-4, (+)-Isoeburnamine, (15R,17R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol, 8TX88E57UY, UNII-8TX88E57UY, Eburnamenin-14-ol, 14,15-dihydro-, (14beta)-, CHEBI:4739, SCHEMBL3683905, DTXSID201336068, RGH-4406, (14alpha)-14,15-Dihydroeburnamenin-14-ol, C09146, AE-508/21134030, Q15410949 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 28.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC3C4CCCCC4C4CCC(C1)C2C34 |
| Np Classifier Class | Aspidosperma type |
| Deep Smiles | CC[C@]CCCN[C@H]6cn[C@@H]C%10)O))ccc5CC9)))cccc6 |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Eburnan-type alkaloids |
| Scaffold Graph Node Level | C1CCC2C(C1)C1CCN3CCCC4CCN2C1C43 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 455.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (15R,17R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H24N2O |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)c1c3n2CCC2CCCN(CC1)C32 |
| Inchi Key | HONLKDDLTAZVQV-NZSAHSFTSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | isoeburnamine |
| Esol Class | Soluble |
| Functional Groups | CN(C)C, CO, cn(c)C |
| Compound Name | Eburnamine |
| Exact Mass | 296.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.189 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 296.4 |
| 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/C19H24N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,16,18,22H,2,5,8-12H2,1H3/t16-,18+,19-/m1/s1 |
| Smiles | CC[C@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4[C@@H](C2)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Hunteria Zeylanica (Plant) Rel Props:Reference:ISBN:9788185042114