2-[(4E,11Z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl acetate
AlkaPlorer ID: AK551631
Synonym: None
IUPAC Name: [(2E)-2-[(1R,6S,7R,11Z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] acetate
Structure
SMILES: CC(=O)OC/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O
InChI: InChI=1S/C21H29NO8/c1-13-11-15(7-10-28-14(2)23)19(25)30-17-6-9-22(4)8-5-16(18(17)24)12-29-20(26)21(13,3)27/h5,7,13,17,27H,6,8-12H2,1-4H3/b15-7+,16-5-/t13-,17+,21+/m0/s1
InChIKey: VSDQPXFTDJVJID-QQDLLWOVSA-N
Reference
Acetylanonamine, a New Secopyrrolizidine Alkaloid from Senecio anonymus
PubChem CID: 134714983
LOTUS: LTS0139596
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Packera anonyma | Packera | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 423.4620000000002
TPSA？: 119.44
MolLogP？: 0.5527000000000004
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|