Anhydrolycorinone
PubChem CID: 321920
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| Compound Synonyms | Anhydrolycorinone, 40360-71-2, CHEMBL481446, CHEBI:31222, NSC276737, NSC-276737, C12250, C16H11NO3, AC1L85AZ, anhydroly-corinone, DTXSID40313767, Q27114226, 5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,15(19),16-hexaen-11-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CC3CCCC3CC2C2CCCC3CCC1C32 |
| Np Classifier Class | Amarylidaceae alkaloids, Indolizidine alkaloids |
| Deep Smiles | O=ccccOCOc5cc9ccn%13CCc5ccc9 |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1C2CC3OCOC3CC2C2CCCC3CCN1C32 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 439.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,15(19),16-hexaen-11-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H11NO3 |
| Scaffold Graph Node Bond Level | O=c1c2cc3c(cc2c2cccc4c2n1CC4)OCO3 |
| Inchi Key | UJOHABFHKQHIKS-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | anhydrolycorinone |
| Esol Class | Soluble |
| Functional Groups | c1cOCO1, c=O, cn(c)C |
| Compound Name | Anhydrolycorinone |
| Exact Mass | 265.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 265.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H11NO3/c18-16-12-7-14-13(19-8-20-14)6-11(12)10-3-1-2-9-4-5-17(16)15(9)10/h1-3,6-7H,4-5,8H2 |
| Smiles | C1CN2C3=C1C=CC=C3C4=CC5=C(C=C4C2=O)OCO5 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids, Tyrosine alkaloids |
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FOUND_INto/from Amaryllis Belladonna (Plant) Rel Props:Reference:ISBN:9788185042114