tazettine

AlkaPlorer ID: AK000417

Synonym: 'ungernine', 'sekisanoline', '', 'sekisanolin', 'Sekisanin', 'Tazettine', 'Criwelline', '(+)-Tazettine'

IUPAC Name: (1R,13S,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-ol

Structure

SMILES: CO[C@@H]1C=C[C@]23C4=CC5=C(C=C4CO[C@]2(O)CN(C)[C@H]3C1)OCO5

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InChI: InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16+,17-,18-/m1/s1

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InChIKey: YLWAQARRNQVEHD-QRVDHSFSSA-N

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Source

Properties Information

Molecule Weight: 331.3680000000001

TPSA: 60.39

MolLogP: 1.1607999999999996

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information