Neoaureothin

Name: Neoaureothin
CAS#: 59795-94-7
Chemical Formula: C28H31NO6
Exact Mass: 477.2151
Molecular Weight: 477.56
Elemental Analysis: C, 70.42; H, 6.54; N, 2.93; O, 20.10

Description: Neoaureothin is a bacterial metabolite and androgen receptor (AR) antagonist that inhibits binding of dihydrotestosterone (DHT) to ARs and inhibits DHT-induced expression of prostate-specific antigen in LNCaP cells. It also has nematocidal activity against the pine wood nematode B. xylophilus and increases survival of P. densiflora trees inoculated with B. xylophilus.

IUPAC/Chemical Name: 2-methoxy-3,5-dimethyl-6-[(2R,4Z)-tetrahydro-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrien-1-ylidene]-2-furanyl]-4H-pyran-4-one

InChi Key: IZICQJAGBLBAMJ-QDYRYYKCSA-N

InChi Code: InChI=1S/C28H31NO6/c1-17(11-18(2)13-22-7-9-24(10-8-22)29(31)32)12-19(3)14-23-15-25(34-16-23)27-20(4)26(30)21(5)28(33-6)35-27/h7-14,25H,15-16H2,1-6H3/b17-11+,18-13+,19-12+,23-14-/t25-/m1/s1

SMILES Code: CC(/C=C1CO[C@@H](C(OC(OC)=C2C)=C(C)C2=O)C\1)=C\C(C)=C\C(C)=C\C3=CC=C([N+]([O-])=O)C=C3

Appearance: Solid powder