Lysolipin I

AlkaPlorer ID: AK020595

Synonym: 'lysolipin', 'Lysolipin I'

IUPAC Name: (7R,8R,12S)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),10,17,20(25),21,23,27-nonaene-5,26-dione

Structure

SMILES: COC1=C2OC3=C(C(O)=C4C5=C(C=C6C(=C5O)C(=O)N(C)[C@H](OC)[C@@H]6O)[C@H](OC)C5OCOC3=C45)C(=O)C2=CC=C1Cl

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InChI: InChI=1S/C29H24ClNO11/c1-31-28(36)14-10(19(33)29(31)39-4)7-11-13(20(14)34)15-16-25(22(11)37-2)40-8-41-26(16)27-17(21(15)35)18(32)9-5-6-12(30)24(38-3)23(9)42-27/h5-7,19,22,25,29,33-35H,8H2,1-4H3/t19-,22+,25?,29-/m1/s1

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InChIKey: NEOMIZJYHXSRLV-AKMKAUCSSA-N

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Properties Information

Molecule Weight: 597.9600000000002

TPSA: 157.36

MolLogP: 3.886600000000003

Number of H-Donors: 3

Number of H-Acceptors: 11

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information