Molecule ID: 10461005

IUPAC Name: (1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-1,2,24,24-tetramethyl-9-(3-methylbut-2-enyl)-22-(2-methylprop-1-enyl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-16-ol

Description: The molecule is a natural product found in Albophoma yamanashiensis. It has a role as a metabolite and an EC 2.3.1.26 (sterol O-acyltransferase) inhibitor. It is an organic heterooctacyclic compound, an epoxide, a tertiary alcohol and a cyclic acetal.

SMILES: CC(C)=CCc1cccc2[nH]c3c(c12)C[C@@H]1CC[C@@]2(O)[C@@]45O[C@@H]4[C@@H]4O[C@H](C=C(C)C)OC(C)(C)[C@H]4O[C@H]5CC[C@]2(C)[C@@]31C

SELFIES: [C][C][Branch1][C][C][=C][C][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@@H1][C][C][C@@][Branch1][C][O][C@@][O][C@@H1][Ring1][Ring1][C@@H1][O][C@H1][Branch1][#Branch1][C][=C][Branch1][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][N][O][C@H1][Ring1][P][C][C][C@][Ring2][Ring1][=Branch1][Branch1][C][C][C@@][Ring2][Ring1][#C][Ring2][Ring1][O][C]

InChI: InChI=1S/C37H49NO5/c1-20(2)12-13-22-10-9-11-25-28(22)24-19-23-14-17-36(39)34(7,35(23,8)30(24)38-25)16-15-26-37(36)32(43-37)29-31(40-26)33(5,6)42-27(41-29)18-21(3)4/h9-12,18,23,26-27,29,31-32,38-39H,13-17,19H2,1-8H3/t23-,26-,27-,29+,31-,32+,34+,35+,36-,37-/m0/s1

Molecular Properties:
- Polar Surface Area: 76.2 Ų
- LogP: 6.9