Jacobine
AlkaPlorer ID: AK303185
Synonym: 15,20-Epoxy-15,20-dihydro-12-hydroxysenecionan-11,16-dione
IUPAC Name: 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: CC1CC2(OC2C)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C23
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
InChIKey: IAPHXJRHXBQDQJ-UHFFFAOYSA-N
Reference
131. Alkaloids of senecio. Part III. Jacobine, jacodine, and jaconine
PubChem CID: 577603
CAS: 6870-67-3
LOTUS: LTS0241200
NPASS: NPC98620
COCONUT: CNP0261237.6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senecio brasiliensis | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Jacobaea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 351.39900000000006
TPSA？: 88.60000000000001
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 |
|---|