N-Acetylnortiliacorinine A

AlkaPlorer ID: AK158353

Synonym: ''

IUPAC Name: 1-[(8S,21S)-13-hydroxy-16,27-dimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-7-yl]ethanone

Structure

SMILES: COC1=CC=C2C=C1C1=C(O)C=CC(=C1)C[C@H]1C3=C(C=C4OC5=C(OC)C=C6CCN(C)[C@@H](C2)C6=C5OC4=C3)CCN1C(C)=O

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InChI: InChI=1S/C37H36N2O6/c1-20(40)39-12-10-23-17-32-33-19-25(23)28(39)15-21-5-7-30(41)26(13-21)27-14-22(6-8-31(27)42-3)16-29-35-24(9-11-38(29)2)18-34(43-4)36(44-32)37(35)45-33/h5-8,13-14,17-19,28-29,41H,9-12,15-16H2,1-4H3/t28-,29-/m0/s1

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InChIKey: QGWNPKUGFXPLRB-VMPREFPWSA-N

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Source

Properties Information

Molecule Weight: 604.7030000000002

TPSA: 80.7

MolLogP: 6.747900000000006

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information