otosenine
AlkaPlorer ID: AK008782
Synonym: '', 'Petasitenine', 'Othosenin', 'Othosenine', 'd-Otosenine', 'Tomentosine', 'd-Otocenime', '(-)-Octosenine'
IUPAC Name: (1R,3'R,4R,6S,7R,11Z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione
Structure
SMILES: C[C@H]1C[C@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN(C)C/C=C(/COC(=O)[C@]1(C)O)C2=O
InChI: InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12+,14+,18+,19+/m0/s1
InChIKey: CZQLULNMKQAIQL-DCEQPIPLSA-N
Reference
PubChem CID: 7566707
CAS: 16958-29-5
LOTUS: LTS0097614
SuperNatural Ⅲ: SN0059931-07
NPASS: NPC200412
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Petasites japonicus | Petasites | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 381.4250000000001
TPSA？: 105.67000000000002
MolLogP？: 0.2207000000000001
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 3A4 | Potency | 25118.9 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 39810.7 | nM | None |