Guiaflavine

AlkaPlorer ID: AK299763

Synonym: None

IUPAC Name: None

Structure

SMILES: CCC1=CN2CCC3=C4C(OC)=CC=CC4=NC3=C2C=C1C1=CN2C3=CC=CC=C3C34CC[N+]5(C)CC6=CCOC1C(C6CC35)C24

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InChI: InChI=1S/C40H41N4O2/c1-4-23-20-42-15-12-25-35-30(9-7-11-33(35)45-3)41-37(25)32(42)18-26(23)28-21-43-31-10-6-5-8-29(31)40-14-16-44(2)22-24-13-17-46-38(28)36(39(40)43)27(24)19-34(40)44/h5-11,13,18,20-21,27,34,36,38-39H,4,12,14-17,19,22H2,1-3H3/q+1

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InChIKey: AAJSOHFSWPEFNN-UHFFFAOYSA-N

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Reference

CAS: 229011-55-6

Source

Properties Information

Molecule Weight: 609.7940000000002

TPSA: 37.3

MolLogP: 4.848200000000005

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 11

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information