Epigalantamine
PubChem CID: 676392
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| Compound Synonyms | Epigalantamine, Epi-Galantamine, 1668-85-5, Epi-galanthamine, Epi Galanthamine, 2-Epigalanthamine, (-)-Epigalanthamine, 3-Epigalanthamine, UNII-P5ATS8V989, P5ATS8V989, 2-EPI-GALANTHAMINE, (1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol, DTXSID50168189, GALANTAMINE METABOLITE M13, SPH-1068, GALANTHAMINE, (3.ALPHA.)-, 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,6S,8aS)-, GALANTAMINE HYDROBROMIDE IMPURITY B [EP IMPURITY], (4AS,6S,8AS)-3-METHOXY-11-METHYL-5,6,9,10,11,12-HEXAHYDRO-4AH-(1)BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-OL, 6H-BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-OL, 4A,5,9,10,11,12-HEXAHYDRO-3-METHOXY-11-METHYL-, (4AS,6S,8AS)-, GALANTAMINE HYDROBROMIDE IMPURITY B (EP IMPURITY), (1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo(8.6.1.01,12.06,17)heptadeca-6(17),7,9,15-tetraen-14-ol, Tocris-0686, (4aS,6S,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol, SCHEMBL5359499, CHEMBL1565544, DTXCID9090680, GALANTHAMINE, (3ALPHA)-, HY-N7265, TNP00150, TNP00165, AKOS030241930, FE22727, NCGC00017256-01, NCGC00017256-02, NCGC00017256-03, NCGC00024731-01, DA-52943, TS-07934, CS-0111011, Q27286219, (1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0?,??.0?,??]heptadeca-6(17),7,9,15-tetraen-14-ol, (4aS,6S,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 2-Epigalanthamine, (-)-Epigalant hamine |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 41.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC23CCCCC2CC2CCCC(C1)C23 |
| Np Classifier Class | Amarylidaceae alkaloids |
| Deep Smiles | COcccccc6O[C@@H][C@@]5CCNC%10)C))))C=C[C@H]C6)O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Amaryllidaceae alkaloids |
| Scaffold Graph Node Level | C1CC2CNCCC34CCCCC3OC(C1)C24 |
| Classyfire Subclass | Galanthamine-type amaryllidaceae alkaloids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | P33261, P10635, P11712 |
| Iupac Name | (1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Target Id | NPT213, NPT110, NPT212 |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H21NO3 |
| Scaffold Graph Node Bond Level | C1=CC23CCNCc4cccc(c42)OC3CC1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ASUTZQLVASHGKV-IFIJOSMWSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5294117647058824 |
| Logs | -1.246 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.021 |
| Synonyms | epigalanthamine |
| Esol Class | Soluble |
| Functional Groups | CC=CC, CN(C)C, CO, cOC |
| Compound Name | Epigalantamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 287.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 287.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 287.35 |
| 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 |
| Esol | -2.926254371428571 |
| Inchi | InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14+,17+/m1/s1 |
| Smiles | CN1CC[C@@]23C=C[C@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O |
| Nring | 4.0 |
| 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 Actiniopteris Radiata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
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FOUND_INto/from Lycoris Guangxiensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Lycoris Radiata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Lycoris Sanguinea (Plant) Rel Props:Reference: - 8. Outgoing r'ship
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FOUND_INto/from Narcissus Tazetta (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 11. Outgoing r'ship
FOUND_INto/from Pinus Radiata (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Pteris Radiata (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Vigna Radiata (Plant) Rel Props:Reference: