Molecule

semicochliodinol B

AlkaPlorer ID: AK073684

Synonym: '', 'Semicochliodinol B'

IUPAC Name: 2,5-dihydroxy-3-(1H-indol-3-yl)-6-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione

Structure

SMILES: CC(C)=CCC1=CC=C2C(C3=C(O)C(=O)C(C4=CNC5=CC=CC=C45)=C(O)C3=O)=CNC2=C1

InChI: InChI=1S/C27H22N2O4/c1-14(2)7-8-15-9-10-17-19(13-29-21(17)11-15)23-26(32)24(30)22(25(31)27(23)33)18-12-28-20-6-4-3-5-16(18)20/h3-7,9-13,28-30,33H,8H2,1-2H3

InChIKey: JWHQWQQROAZMII-UHFFFAOYSA-N

Reference

Semicochliodinol A and B: Inhibitors of HIV-1 Protease and EGF-R Protein Tyrosine Kinase Related to Asterriquinones Produced by the Fungus Chrysosporium merdarium.

PubChem CID: 474303

CAS: 194224-73-2

LOTUS: LTS0051836

COCONUT: CNP0221659

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Chrysosporium merdarium	Chrysosporium	Onygenaceae	Onygenales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 438.4830000000001

TPSA？: 106.17999999999998

MolLogP？: 5.548100000000004

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi