N-Methylseverifoline
PubChem CID: 44558980
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| Compound Synonyms | N-methylseverifoline, 6-hydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano(2,3-c)acridin-7-one, 6-hydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one, CHEMBL452221, 84306-82-1 |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 677.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Is Pains | False |
| Molecular Formula | C24H25NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OPRNQHJZMXYHPD-UHFFFAOYSA-N |
| Fcsp3 | 0.2916666666666667 |
| Rotatable Bond Count | 2.0 |
| Compound Name | N-Methylseverifoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 375.183 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 375.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 375.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.941901600000001 |
| Inchi | InChI=1S/C24H25NO3/c1-14(2)10-11-17-22(27)19-20(16-12-13-24(3,4)28-23(16)17)25(5)18-9-7-6-8-15(18)21(19)26/h6-10,12-13,27H,11H2,1-5H3 |
| Smiles | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=CC=CC=C4N3C)C=CC(O2)(C)C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients