Coeligiosin B

AlkaPlorer ID: AK020318

Synonym: None

IUPAC Name: None

Structure

SMILES: CCCCCCCCCCCC1=CC=C(C(=C2N=C(C3=CC=CN3)C=C2OC)C2=C3C=C(CCCCCCC3CCCC)N2)N1

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InChI: InChI=1S/C40H58N4O/c1-4-6-8-9-10-11-12-13-17-22-31-25-26-35(42-31)38(40-37(45-3)29-36(44-40)34-24-19-27-41-34)39-33-28-32(43-39)23-18-15-14-16-21-30(33)20-7-5-2/h19,24-30,41-43H,4-18,20-23H2,1-3H3

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InChIKey: JOFJXRCNISTDPD-UHFFFAOYSA-N

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Reference

PubChem CID: 139585244

COCONUT: CNP0351061

Properties Information

Molecule Weight: 610.9310000000002

TPSA: 68.96

MolLogP: 11.31719999999999

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information