Dihydroxyaflavinine

Inquiry

For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1370

CAS

76410-56-5

Product Name

Dihydroxyaflavinine

Structure

Product Details

Description

Dihydroxyaflavinine is a metabolite of Aspergillus flavus and is a fungal toxin. It inhibits non-competitively GABAA receptor channel expressed in Xenopus oocytes. It displays oral toxicity to the corn earworm (Heliothis zea) and fall armyworm (Spodoptera frugiperda).

Synonyms

20,25-Dihydroxyaflavinine; 1H-Benzo[d]naphthalene-1,5-diol, 2,3,4,4a,5,6,7,7a,10,11-decahydro-9-[(1R)-2-hydroxy-1-methylethyl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-, (1R,4S,4aR,5S,7S,7aR,11aR)-rel-; 1H-Benzo(d)naphthalene-1,5-diol, 2,3,4,4a,5,6,7,7a,10,11-decahydro-9-(2-hydroxy-1-methylethyl)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-, (1alpha,4alpha,4aalpha,5beta,7alpha,7abeta,9(R*),11aR*)-

IUPAC Name

(1S,4R,4aS,5R,7R,7aS)-9-[(2S)-1-hydroxypropan-2-yl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol

Molecular Weight

437.61

Molecular Formula

C28H39NO3

Canonical SMILES

CC1CCC(C23C1(C(CC(C2C(=C(CC3)C(C)CO)C4=CNC5=CC=CC=C54)C)O)C)O

InChI

InChI=1S/C28H39NO3/c1-16-13-24(32)27(4)18(3)9-10-23(31)28(27)12-11-19(17(2)15-30)25(26(16)28)21-14-29-22-8-6-5-7-20(21)22/h5-8,14,16-18,23-24,26,29-32H,9-13,15H2,1-4H3/t16-,17-,18-,23+,24-,26+,27-,28?/m1/s1

InChIKey

ZMEZVDUXYBOYTB-KNFQJDNVSA-N

Boiling Point

634.9±55.0°C (Predicted)

Melting Point

254-256°C

Purity

98.0%

Density

1.20±0.1 g/cm3 (Predicted)

Solubility

Soluble in Methanol

Appearance

Powder

Storage

Store at -20°C

Form

Powder

Products

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