5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol, 6,7,7a,8-tetrahydro-, (7aS-cis)-
PubChem CID: 158566
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| Compound Synonyms | noroliveroline, Noroliveroline, (-)-, 97CWM52SAJ, 83730-14-7, 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol, 6,7,7a,8-tetrahydro-, (7aS-cis)-, UNII-97CWM52SAJ, (-)-NOROLIVEROLINE, CHEMBL464657, DTXSID301003743, NSC782327, NSC-782327, NCGC00488809-01, Q15426993, (7aS,8S)-6,7,7a,8-Tetrahydro-2H,5H-benzo[g][1,3]benzodioxolo[6,5,4-de]quinolin-8-ol, 6,7,7a,8-Tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-ol, (12S,13S)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 50.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCC3CC4CCCC4C2C13 |
| Np Classifier Class | Aporphine alkaloids |
| Deep Smiles | O[C@H]cccccc6-cc[C@@H]%10NCCc6ccc%10OCO5 |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Aporphines |
| Scaffold Graph Node Level | C1CCC2C(C1)CC1NCCC3CC4OCOC4C2C31 |
| Classyfire Subclass | Hydroxy-7-aporphines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (12S,13S)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H15NO3 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CC1NCCc3cc4c(c-2c31)OCO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CKIYSMRPIBQTHQ-HOTGVXAUSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.2941176470588235 |
| Rotatable Bond Count | 0.0 |
| Synonyms | noroliveroline |
| Esol Class | Soluble |
| Functional Groups | CNC, CO, c1cOCO1 |
| Compound Name | 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol, 6,7,7a,8-tetrahydro-, (7aS-cis)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 281.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 281.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 281.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.0905853428571426 |
| Inchi | InChI=1S/C17H15NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-4,7,15-16,18-19H,5-6,8H2/t15-,16-/m0/s1 |
| Smiles | C1CN[C@@H]2[C@H](C3=CC=CC=C3C4=C2C1=CC5=C4OCO5)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
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