Sceleratine
AlkaPlorer ID: AK000221
Synonym: None
IUPAC Name: (1R,6R)-4,7-dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Structure
SMILES: C[C@@H]1C(C(C(=O)O[C@@H]2CCN3C2C(=CC3)COC(=O)C1(C)O)(CO)O)C
InChI: InChI=1S/C18H27NO7/c1-10-11(2)18(24,9-20)16(22)26-13-5-7-19-6-4-12(14(13)19)8-25-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3/t10-,11?,13-,14?,17?,18?/m1/s1
InChIKey: KWEQCWXCFQWUQU-AUBWXPIGSA-N
Reference
A new pyrrolizidine alkaloid N-oxide and the revised structure of sceleratine
PubChem CID: 165417
CAS: 6190-25-6
Source
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Properties Information
Molecule Weight: 369.4140000000001
TPSA？: 116.53
MolLogP？: -0.7840999999999985
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 3
Activities Information
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