(1S,4R,6S,7R,10R,11R,12R,16S,17R)-10-hydroxy-12-methyl-3-methylidene-8-azaheptacyclo[8.7.1.1⁴,¹⁷.1⁸,¹².0¹,⁶.0⁷,¹⁶.0¹¹,¹⁶]icosan-19-one
AlkaPlorer ID: AK155548
Synonym: None
IUPAC Name: (1S,5R,8R,9S,11R,14S,16R,17R,18R)-16-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.17,16.01,8.05,17.09,14.014,18]icosan-19-one
Structure
SMILES: C=C1C[C@@]23C[C@]4(O)CN5C[C@]6(C)CCC[C@@]7([C@@H]2C(=O)[C@@H]1C[C@@H]3[C@@H]57)[C@@H]64
InChI: InChI=1S/C21H27NO2/c1-11-7-19-8-20(24)10-22-9-18(2)4-3-5-21(17(18)20)15(19)14(23)12(11)6-13(19)16(21)22/h12-13,15-17,24H,1,3-10H2,2H3/t12-,13-,15-,16-,17+,18+,19+,20+,21+/m1/s1
InChIKey: MGEDPNBPAMLIHW-WVRIYPJASA-N
Reference
Alkaloids of formosan Thalictrum sessile
PubChem CID: 162930479
LOTUS: LTS0105265
SuperNatural Ⅲ: SN0224778-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum javanicum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.452
TPSA？: 40.54
MolLogP？: 2.3931000000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|