Lycoramine
PubChem CID: 443723
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| Compound Synonyms | Lycoramine, 21133-52-8, 1,2-Dihydrogalanthamine, (-)-lycoramine, (+-)-lycoramine, UNII-TAG8LU84K2, Lycoramine free base, TAG8LU84K2, Dihydrogalanthamine, 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,7,8,9,10,11,12-octahydro-3-methoxy-11-methyl-, (4aS,6S,8aR)-, CHEBI:31789, LYCORAMINE [MI], GALANTHAMINE, DIHYDRO-, CHEMBL469638, DTXSID30175371, 21133-52-8 (free base), GALANTHAMINE, 1,2-DIHYDRO-, (1R,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol, GALANTAMINE HYDROBROMIDE IMPURITY C [EP IMPURITY], (4aS,6S,8aR)-3-methoxy-11-methyl-4a,5,7,8,9,10,11,12-octahydro-6H-benzo[2,3]benzofuro[4,3-cd]azepin-6-ol, (4AS,6S,8AR)-3-METHOXY-11-METHYL-5,6,7,8,9,10,11,12-OCTAHYDRO-4AH-(1)BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-OL, 6H-BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-OL, 4A,5,7,8,9,10,11,12-OCTAHYDRO-3-METHOXY-11-METHYL-, (4AS,6S,8AR)-, GALANTAMINE HYDROBROMIDE IMPURITY C (EP IMPURITY), AC1L9F2N, Lycoramin, Dihydro Galantamine, (1R,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo(8.6.1.01,12.06,17)heptadeca-6(17),7,9-trien-14-ol, SureCN1395930, SCHEMBL1395930, DTXCID1097862, HY-N6619A, CHEBI:543429, BDBM50278097, AKOS040760538, DA-65159, MS-24134, CS-0089534, Q27114686, (1R,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0?,??.0?,??]heptadeca-6(17),7,9-trien-14-ol |
|---|---|
| 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@]5CC[C@@H]C6)O))))CCNC%10)C |
| 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 | 403.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | P22303 |
| Iupac Name | (1R,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Target Id | NPT204 |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H23NO3 |
| Scaffold Graph Node Bond Level | c1cc2c3c(c1)OC1CCCCC31CCNC2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GJRMHIXYLGOZSE-JDFRZJQESA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6470588235294118 |
| Logs | -2.18 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.998 |
| Synonyms | lycoramine |
| Esol Class | Soluble |
| Functional Groups | CN(C)C, CO, cOC |
| Compound Name | Lycoramine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 289.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 289.168 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 289.4 |
| 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 |
| Esol | -3.0143535714285714 |
| Inchi | InChI=1S/C17H23NO3/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/h3-4,12,14,19H,5-10H2,1-2H3/t12-,14-,17-/m0/s1 |
| Smiles | CN1CC[C@@]23CC[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 Ferula Persica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ligularia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Lycoris Radiata (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 4. Outgoing r'ship
FOUND_INto/from Stachys Aegyptiaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Zephyranthes Candida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Zephyranthes Carinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all