Hydnellin B

AlkaPlorer ID: AK060432

Synonym: None

IUPAC Name: (2Z,3S)-N-[6-[2,5-dihydroxy-4-(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-[(2S)-2-methylbutyl]-3-oxo-1,4-benzodioxin-2-yl]-N-hydroxy-2-methoxyimino-3-methylpentanamide

Structure

SMILES: CC[C@H](C)CC1(N(O)C(=O)/C(=N/OC)[C@@H](C)CC)OC2=CC=C(C3=C(O)C(=O)C(C4=CC=C(O)C=C4)=C(O)C3=O)C=C2OC1=O

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InChI: InChI=1S/C32H34N2O11/c1-6-16(3)15-32(34(42)30(40)25(33-43-5)17(4)7-2)31(41)44-22-14-19(10-13-21(22)45-32)24-28(38)26(36)23(27(37)29(24)39)18-8-11-20(35)12-9-18/h8-14,16-17,35-36,39,42H,6-7,15H2,1-5H3/b33-25+/t16-,17-,32?/m0/s1

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InChIKey: LKOZTADJUQPEKD-NNIDEIGRSA-N

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Source

Properties Information

Molecule Weight: 622.6270000000003

TPSA: 192.48999999999995

MolLogP: 4.479000000000003

Number of H-Donors: 4

Number of H-Acceptors: 12

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information