Janthinolide B

AlkaPlorer ID: AK063785

Synonym: None

IUPAC Name: (3Z,6S)-3-[[4-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]phenyl]methylidene]-1-hydroxy-6-methylpiperazine-2,5-dione

Structure

SMILES: C/C(=C\COC1=CC=C(/C=C2\N=C(O)[C@H](C)N(O)C2=O)C=C1)CC[C@H](O)C(C)(C)O

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InChI: InChI=1S/C22H30N2O6/c1-14(5-10-19(25)22(3,4)28)11-12-30-17-8-6-16(7-9-17)13-18-21(27)24(29)15(2)20(26)23-18/h6-9,11,13,15,19,25,28-29H,5,10,12H2,1-4H3,(H,23,26)/b14-11+,18-13-/t15-,19-/m0/s1

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InChIKey: MQUATMOIPMHKPH-VQBUCGEQSA-N

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Reference

PubChem CID: 15946139

LOTUS: LTS0233205

SuperNatural Ⅲ: SN0232896-02

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NPAtlas: NPA013783

Source

Properties Information

Molecule Weight: 418.4900000000002

TPSA: 122.82000000000002

MolLogP: 2.841000000000001

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information