Molecule

Cytochalasin J3

AlkaPlorer ID: AK109262

Synonym: None

IUPAC Name: (1S,3S,4R,5S,8R,9R,11R,14S,16R,17S,18R)-5-benzyl-9-hydroxy-3,12,14-trimethyl-2-methylidene-19-oxa-6-azapentacyclo[14.2.1.04,8.08,18.011,17]nonadec-12-en-7-one

Structure

SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)N=C(O)[C@@]23[C@H]2[C@H]4[C@@H](C[C@H](C)C=C(C)[C@@H]4C[C@H]3O)O[C@H]12

InChI: InChI=1S/C28H35NO3/c1-14-10-15(2)19-13-22(30)28-24(20(29-27(28)31)12-18-8-6-5-7-9-18)16(3)17(4)26-25(28)23(19)21(11-14)32-26/h5-10,14,16,19-26,30H,4,11-13H2,1-3H3,(H,29,31)/t14-,16-,19+,20+,21-,22-,23-,24+,25+,26-,28-/m1/s1

InChIKey: WSPVFJOMQYINNH-BNBLUJNUSA-N

Reference

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

PubChem CID: 139591402

LOTUS: LTS0128721

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NPAtlas: NPA024246

Source

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

Properties Information

Molecule Weight: 433.5920000000002

TPSA？: 62.05000000000001

MolLogP？: 4.743000000000006

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi