Lotusanine B

AlkaPlorer ID: AK304638

Synonym: None

IUPAC Name: N-(7-benzyl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl)-1-(3-phenylprop-2-enoyl)pyrrolidine-2-carboxamide

Structure

SMILES: CC(C)C1OC2=CC=C(C=CNC(=O)C(CC3=CC=CC=C3)NC(=O)C1NC(=O)C1CCCN1C(=O)C=CC1=CC=CC=C1)C=C2

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InChI: InChI=1S/C37H40N4O5/c1-25(2)34-33(40-36(44)31-14-9-23-41(31)32(42)20-17-26-10-5-3-6-11-26)37(45)39-30(24-28-12-7-4-8-13-28)35(43)38-22-21-27-15-18-29(46-34)19-16-27/h3-8,10-13,15-22,25,30-31,33-34H,9,14,23-24H2,1-2H3,(H,38,43)(H,39,45)(H,40,44)

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InChIKey: NYOIXNGBYPQKPL-UHFFFAOYSA-N

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Reference

PubChem CID: 163105312

CAS: 164366-87-4

COCONUT: CNP0425435.1

Properties Information

Molecule Weight: 620.7500000000003

TPSA: 116.84

MolLogP: 4.107200000000002

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information