Molecule

Phomopchalasin C

AlkaPlorer ID: AK103331

Synonym: None

IUPAC Name: [(1R,2R,3E,5R,7S,9E,11R,12S,15R,16S)-16-benzyl-12-hydroperoxy-5-hydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-2-yl] acetate

Structure

SMILES: CC(=O)O[C@@H]1/C=C/[C@](C)(O)C[C@@H](C)C/C=C/[C@H]2[C@H](OO)C(C)=C(C)[C@H]3[C@H](CC4=CC=CC=C4)N=C(O)[C@@]123

InChI: InChI=1S/C30H39NO6/c1-18-10-9-13-23-27(37-35)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(33)30(23,26)25(36-21(4)32)14-15-29(5,34)17-18/h6-9,11-15,18,23-27,34-35H,10,16-17H2,1-5H3,(H,31,33)/b13-9+,15-14+/t18-,23-,24-,25+,26-,27+,29-,30+/m0/s1

InChIKey: UCINNLJASWRMOG-WQNUPBJZSA-N

Reference

Phomopchalasins A and B, Two Cytochalasans with Polycyclic-Fused Skeletons from the Endophytic Fungus<i>Phomopsis</i>sp. shj2

PubChem CID: 132919145

LOTUS: LTS0064498

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NPAtlas: NPA023797

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Phomopsis sp. shj2	Phomopsis	Valsaceae	Diaporthales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 509.64300000000026

TPSA？: 108.58

MolLogP？: 5.219800000000005

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi