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evonimine

AlkaPlorer ID: AK035843

Synonym: '', 'Evonimine'

IUPAC Name: [(1S,3R,15S,18S,19R,20R,21S,22S,24R,25R,26S)-19,20,22,25-tetraacetyloxy-26-hydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate

Structure

SMILES: CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O

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InChI: InChI=1S/C36H43NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-25(43)28(51-20(5)41)35(15-47-17(2)38)30(52-21(6)42)26(49-18(3)39)29(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24,26-30,46H,11-12,14-15H2,1-8H3/t16-,24+,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1

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InChIKey: QFMYKKJPSVFBKJ-BMDVJCGOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Euonymus europaeus Euonymus Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 761.7300000000004

TPSA？: 243.51999999999992

MolLogP？: 0.5000000000000042

Number of H-Donors: 1

Number of H-Acceptors: 18

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information