Molecule

11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0?,¹?.0¹?,²?.0¹?,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate

AlkaPlorer ID: AK031323

Synonym: None

IUPAC Name: [(1S,2R,5S,7S,8R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-yl] acetate

Structure

SMILES: CC(=O)O[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@@]2(O)CC[C@H]2CC4=C(NC5=CC=CC=C45)[C@@]23C)O[C@@H]1C(C)(C)O

InChI: InChI=1S/C29H37NO5/c1-16(31)34-23-15-20-22(35-25(23)26(2,3)32)11-12-27(4)28(5)17(10-13-29(20,27)33)14-19-18-8-6-7-9-21(18)30-24(19)28/h6-9,15,17,22-23,25,30,32-33H,10-14H2,1-5H3/t17-,22-,23+,25-,27+,28+,29+/m0/s1

InChIKey: IMABPJDBODVJSN-HKZMUHMQSA-N

Reference

Studies on fungal products. Part XXXIII. Structures of new indoloditerpenes, possible biosynthetic precursors of the tremorgenic mycotoxins, penitrems, from Penicillium crustosum.

PubChem CID: 38348556

LOTUS: LTS0184390

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Penicillium solitum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 479.6170000000002

TPSA？: 91.78

MolLogP？: 4.319300000000005

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi