Nigrunoids I (9a)

AlkaPlorer ID: AK017453

Synonym: None

IUPAC Name: None

Structure

SMILES: CC(C)CNC([C@@H]([C@@H]1C(N2CCCCC2)=O)C=C[C@@H]([C@@H]1/C=C/C3=CC=C4OCOC4=C3)CCCCC)=O

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InChI: InChI=1S/C31H44N2O4/c1-4-5-7-10-24-13-15-26(30(34)32-20-22(2)3)29(31(35)33-17-8-6-9-18-33)25(24)14-11-23-12-16-27-28(19-23)37-21-36-27/h11-16,19,22,24-26,29H,4-10,17-18,20-21H2,1-3H3,(H,32,34)/b14-11+/t24-,25-,26+,29+/m0/s1

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InChIKey: DQCNZUOTRDOWLJ-DHLQBYSVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 508.7030000000003

TPSA: 67.87

MolLogP: 5.828100000000006

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information