Molecule

Cytochalasin J2

AlkaPlorer ID: AK109259

Synonym: None

IUPAC Name: (1R,2R,3E,5Z,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-2,12-dihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,5,9-trien-18-one

Structure

SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@]23[C@H](O)/C=C/C(C)=C\[C@@H](C)C/C=C/[C@H]3[C@@H]1O

InChI: InChI=1S/C28H35NO3/c1-17-9-8-12-22-26(31)20(4)19(3)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)15-17/h5-8,10-15,17,19,22-26,30-31H,4,9,16H2,1-3H3,(H,29,32)/b12-8+,14-13+,18-15-/t17-,19+,22-,23-,24+,25-,26+,28+/m0/s1

InChIKey: CZABEFNJKKLRKT-ZCTQIHNESA-N

Reference

Cytochalasins from an Australian Marine Sediment-Derived <i>Phomopsis</i> sp. (CMB-M0042F): Acid-Mediated Intramolecular Cycloadditions Enhance Chemical Diversity

PubChem CID: 139591401

LOTUS: LTS0109729

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NPAtlas: NPA024245

Source

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

Properties Information

Molecule Weight: 433.59200000000016

TPSA？: 69.56

MolLogP？: 3.9725000000000033

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi