Humosine A
PubChem CID: 189686
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| Compound Synonyms | Humosine A, Corytensine, (+)-Humosine A, Epi-alpha-decumbensine, (+)-Corytensine, 11014-02-1, CHEMBL4162070, (6S,8R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol, (6S,8R)-6-((5S)-6-methyl-7,8-dihydro-5H-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)-6,8-dihydrofuro(3,4-g)(1,3)benzodioxol-8-ol, BDBM50286640 |
|---|---|
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 577.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (6S,8R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C20H19NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YMHFBUOKLSWOQF-CMKODMSKSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.844 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.5 |
| Compound Name | Humosine A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 369.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 369.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 369.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.55850148888889 |
| Inchi | InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18,20,22H,4-5,8-9H2,1H3/t17-,18-,20+/m0/s1 |
| Smiles | CN1CCC2=CC3=C(C=C2[C@H]1[C@@H]4C5=C([C@@H](O4)O)C6=C(C=C5)OCO6)OCO3 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Mucronifera (Plant) Rel Props:Source_db:cmaup_ingredients