Molecule

Penochalasin Gs

AlkaPlorer ID: AK532005

Synonym: None

IUPAC Name: (1S,6R,7E,9S,11E,13S,16S,17R,18S)-6-hydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11,14-triene-2,5,20-trione

Structure

SMILES: CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)[C@@H](O)C(=O)CCC(=O)[C@]23C(O)=N[C@@H](CC2=CNC4=CC=CC=C24)[C@@H]3[C@@H]1C

InChI: InChI=1S/C32H38N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-11,14-15,17-18,21,23,26,29-30,33,37H,8,12-13,16H2,1-4H3,(H,34,38)/b9-7+,20-14+/t18-,21+,23-,26-,29-,30+,32+/m0/s1

InChIKey: TYTBBVIHCPHNMB-SULDOPRKSA-N

Reference

Absolute stereostructures of novel cytotoxic metabolites, penostatins A–E, from a Penicillium species separated from an Enteromorpha alga

PubChem CID: 10481602

LOTUS: LTS0252620

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ulva intestinalis	Ulva	Ulvaceae	Ulvales	Ulvophyceae	Chlorophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 514.6660000000002

TPSA？: 102.75

MolLogP？: 5.6855000000000055

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi