jacobine
AlkaPlorer ID: AK013273
Synonym: '', 'Jacobine'
IUPAC Name: (1R,3'S,4S,6S,7R,17S)-7-hydroxy-3',6,7-trimethylspiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
Structure
SMILES: C[C@@H]1O[C@@]12C[C@H](C)[C@@](C)(O)C(=O)OCC1=CCN3CC[C@@H](OC2=O)[C@H]13
InChI: InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11-,13+,14-,17+,18-/m0/s1
InChIKey: IAPHXJRHXBQDQJ-MTSCNXIRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Jacobaea maritima | Jacobaea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 351.3990000000001
TPSA？: 88.6
MolLogP？: 0.4039999999999999
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|