Methylmonocrotaline
AlkaPlorer ID: AK003178
Synonym: None
IUPAC Name: (1S,5S,6S)-5,6-dihydroxy-4,4,5,6-tetramethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Structure
SMILES: C[C@]1(C(=O)OCC2=CCN3C2[C@H](CC3)OC(=O)C([C@]1(C)O)(C)C)O
InChI: InChI=1S/C17H25NO6/c1-15(2)13(19)24-11-6-8-18-7-5-10(12(11)18)9-23-14(20)16(3,21)17(15,4)22/h5,11-12,21-22H,6-9H2,1-4H3/t11-,12?,16+,17-/m0/s1
InChIKey: NQHCYMOPENHUTC-VDXHGNKCSA-N
Reference
Patterns of pyrrolizidine alkaloids in 12 Ethiopian Crotalaria species
PubChem CID: 91749692
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 339.38800000000003
TPSA？: 96.3
MolLogP？: -0.002500000000000502
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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