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perviridisin B

AlkaPlorer ID: AK058599

Synonym: None

IUPAC Name: (1S,9S,10S,11R)-1,12-dihydroxy-N-[4-[[(E)-4-hydroxy-2-methylbut-2-enoyl]amino]butyl]-3,5-dimethoxy-9-(4-methoxyphenyl)-11-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-10-carboxamide

Structure

SMILES: COC1=CC=C([C@]23OC4=CC(OC)=CC(OC)=C4[C@](O)(C2O)[C@@H](C2=CC=CC=C2)[C@@H]3C(O)=NCCCCN=C(O)/C(C)=C/CO)C=C1

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InChI: InChI=1S/C36H42N2O9/c1-22(16-19-39)32(40)37-17-8-9-18-38-33(41)31-29(23-10-6-5-7-11-23)35(43)30-27(46-4)20-26(45-3)21-28(30)47-36(31,34(35)42)24-12-14-25(44-2)15-13-24/h5-7,10-16,20-21,29,31,34,39,42-43H,8-9,17-19H2,1-4H3,(H,37,40)(H,38,41)/b22-16+/t29-,31+,34?,35-,36+/m0/s1

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InChIKey: ZPZIOXSKRNWLQT-YFLBEWKFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aglaia perviridis Aglaia Meliaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 646.7370000000002

TPSA？: 162.79

MolLogP？: 4.594200000000004

Number of H-Donors: 5

Number of H-Acceptors: 9

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens HT-29 ED50 0.46 uM 10.1021/np3007588
Homo sapiens HT-29 ED50 10.0 uM 10.1021/np3007588
Homo sapiens Nuclear factor NF-kappa-B p65 subunit ED50 2.4 uM 10.1021/np3007588
Homo sapiens Nuclear factor NF-kappa-B p65 subunit ED50 20.0 uM 10.1021/np3007588
None ADMET ED50 50.0 uM 10.1021/np3007588

Metabolism Information