Dihydrolycorine
PubChem CID: 11876135
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| Compound Synonyms | Dihydrolycorine, 6271-21-2, UNII-Z7N4S72301, Z7N4S72301, .ALPHA.-DIHYDROLYCORINE, DIHYDROLYCORINE, (+)-, (1S,15R,17S,18S,19R)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-triene-17,18-diol, (1S,2S,3aR,12bS,12cR)-2,3,3a,4,5,7,12b,12c-octahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, Galanthan-1,2-diol, 9,10-(methylenebis(oxy))-, (1alpha,2beta)-, alpha-dihydrolycorine, 1H-(1,3)DIOXOLO(4,5-J)PYRROLO(3,2,1-DE)PHENANTHRIDINE-1,2-DIOL, 2,3,3A,4,5,7,12B,12C-OCTAHYDRO-, (1S,2S,3AR,12BS,12CR)-, (1S,15R,17S,18S,19R)-5,7-dioxa-12-azapentacyclo(10.6.1.02,10.04,8.015,19)nonadeca-2,4(8),9-triene-17,18-diol, CHEMBL583061, SCHEMBL21578274, CHEBI:228864, DTXSID701346488, HY-N2403, MFCD09953807, s3285, AKOS030573518, AC-34198, DA-72772, MS-24132, CS-0022605, Q27295119 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 62.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC3CC4CCC5CCCC(C3CC2C1)C54 |
| Np Classifier Class | Amarylidaceae alkaloids |
| Deep Smiles | O[C@H]C[C@H]CCN[C@H]5[C@@H][C@@H]9O))cccOCOc5cc9C%13 |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Amaryllidaceae alkaloids |
| Scaffold Graph Node Level | C1CC2CCN3CC4CC5OCOC5CC4C(C1)C23 |
| Classyfire Subclass | Lycorine-type amaryllidaceae alkaloids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 433.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,15R,17S,18S,19R)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-triene-17,18-diol |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 0.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H19NO4 |
| Scaffold Graph Node Bond Level | c1c2c(cc3c1OCO3)C1CCCC3CCN(C2)C31 |
| Inchi Key | VJILFEGOWCJNIK-MGRBZGILSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | dihydrolycorine |
| Esol Class | Soluble |
| Functional Groups | CN(C)C, CO, c1cOCO1 |
| Compound Name | Dihydrolycorine |
| Exact Mass | 289.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 289.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 289.33 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H19NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8-,11+,14+,15-,16-/m1/s1 |
| Smiles | C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2[C@H]1C[C@@H]([C@H]5O)O)OCO4 |
| 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 Zephyranthes Candida (Plant) Rel Props:Reference:ISBN:9788172363093