Othonnine
AlkaPlorer ID: AK195793
Synonym: ''
IUPAC Name: (1R,4R,5S,6S,16S)-6-ethyl-5,6-dihydroxy-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Structure
SMILES: CC[C@@]1(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@H](C(C)C)[C@@H]1O)[C@H]23
InChI: InChI=1S/C18H27NO6/c1-4-18(23)15(20)13(10(2)3)16(21)25-12-6-8-19-7-5-11(14(12)19)9-24-17(18)22/h5,10,12-15,20,23H,4,6-9H2,1-3H3/t12-,13-,14+,15+,18+/m1/s1
InChIKey: PHBXHCOARFTKGZ-AZSHCRGASA-N
Reference
Pyrrolizidine alkaloids from seeds of Crotalaria scassellatii
PubChem CID: 163029224
LOTUS: LTS0001084
SuperNatural Ⅲ: SN0285229-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria scassellatii | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 353.415
TPSA？: 96.3
MolLogP？: 0.2434999999999994
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|