Lysergene
PubChem CID: 12312578
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| Compound Synonyms | Lysergene, Lysergen, 553QH53YND, Ergoline, 9,10-didehydro-6-methyl-8-methylene-, UNII-553QH53YND, 478-91-1, CHEMBL39604, DTXSID30197290, (5R)-6-METHYL-8-METHYLENE-9-ERGOLENE, 9,10-DIDEHYDRO-6-METHYL-8-METHYLENEERGOLINE, INDOLO(4,3-FG)QUINOLINE, 4,6,6A,7,8,9-HEXAHYDRO-7-METHYL-9-METHYLENE-, (6AR)-, INDOLO(4,3-FG)QUINOLINE, 4,6,6A,7,8,9-HEXAHYDRO-7-METHYL-9-METHYLENE-, (R)-, Lyserg, (6aR)-7-methyl-9-methylidene-4,6,6a,8-tetrahydroindolo(4,3-fg)quinoline, (6aR)-7-methyl-9-methylidene-4,6,6a,8-tetrahydroindolo[4,3-fg]quinoline, SCHEMBL7640520, DTXCID40119781, CHEBI:220897, BDBM50227496, Q15633926, (6aR)-7-methyl-9-methylidene-4,6,6a,8-tetrahydroindolo[4,3-g]quinoline |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 19.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CC3CCC4CCCC(C2C1)C43 |
| Np Classifier Class | Ergot alkaloids |
| Deep Smiles | C=CCNC)[C@H]C=C6)cccccc6cC%10)c[nH]5 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | CC1CNC2CC3CNC4CCCC(C2C1)C34 |
| Classyfire Subclass | Indoloquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 411.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6aR)-7-methyl-9-methylidene-4,6,6a,8-tetrahydroindolo[4,3-fg]quinoline |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H16N2 |
| Scaffold Graph Node Bond Level | C=C1C=C2c3cccc4[nH]cc(c34)CC2NC1 |
| Inchi Key | MVCNPXUMKZNDRO-OAHLLOKOSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | lysergene |
| Esol Class | Soluble |
| Functional Groups | CN(C)C, cC(C)=CC(=C)C, c[nH]c |
| Compound Name | Lysergene |
| Exact Mass | 236.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.131 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 236.31 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H16N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,15,17H,1,7,9H2,2H3/t15-/m1/s1 |
| Smiles | CN1CC(=C)C=C2[C@H]1CC3=CNC4=CC=CC2=C34 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Argyreia Nervosa (Plant) Rel Props:Reference:ISBN:9788172361150