Stephisoferuline

AlkaPlorer ID: AK030548

Synonym: ''

IUPAC Name: [(1S,8S,10S,11R,12S,13R)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

Structure

SMILES: COC1=CC=C(/C=C/C(=O)O[C@@H]2C[C@]34CCN[C@@]35C[C@H](O[C@@]5(OC)[C@H]2OC)C2=CC=C(OC)C(O)=C24)C=C1O

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InChI: InChI=1S/C29H33NO9/c1-34-19-8-5-16(13-18(19)31)6-10-23(32)38-22-14-27-11-12-30-28(27)15-21(39-29(28,37-4)26(22)36-3)17-7-9-20(35-2)25(33)24(17)27/h5-10,13,21-22,26,30-31,33H,11-12,14-15H2,1-4H3/b10-6+/t21-,22+,26-,27-,28-,29-/m0/s1

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InChIKey: YYOXLLHHBARIFS-KUOQJWBMSA-N

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Source

Properties Information

Molecule Weight: 539.5810000000004

TPSA: 124.94000000000004

MolLogP: 2.9465000000000017

Number of H-Donors: 3

Number of H-Acceptors: 10

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information