Stephuline

AlkaPlorer ID: AK050158

Synonym: ''

IUPAC Name: (1S,8S,10S,11R,12S,13S)-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-3,13-diol

Structure

SMILES: COC1=CC=C2C(=C1O)[C@@]13CCN[C@@]14C[C@@H]2O[C@@]4(OC)[C@@H](OC)[C@@H](O)C3

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InChI: InChI=1S/C19H25NO6/c1-23-12-5-4-10-13-9-18-17(6-7-20-18,14(10)15(12)22)8-11(21)16(24-2)19(18,25-3)26-13/h4-5,11,13,16,20-22H,6-9H2,1-3H3/t11-,13-,16-,17-,18-,19-/m0/s1

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InChIKey: ACRRBZDXZFFIGZ-AMTPKYOQSA-N

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Source

Properties Information

Molecule Weight: 363.4100000000001

TPSA: 89.41000000000001

MolLogP: 0.9679999999999996

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information