Molecule

Deoxy-Cyclochlorotine

AlkaPlorer ID: AK064351

Synonym: None

IUPAC Name: (3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-13-ethyl-10-(hydroxymethyl)-3-methyl-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone

Structure

SMILES: CC[C@@H]1N=C(O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H](C)N=C(O)C[C@H](C2=CC=CC=C2)N=C(O)[C@H](CO)N=C1O

InChI: InChI=1S/C24H31Cl2N5O6/c1-3-15-21(34)30-17(11-32)22(35)29-16(13-7-5-4-6-8-13)9-18(33)27-12(2)24(37)31-10-14(25)19(26)20(31)23(36)28-15/h4-8,12,14-17,19-20,32H,3,9-11H2,1-2H3,(H,27,33)(H,28,36)(H,29,35)(H,30,34)/t12-,14+,15-,16+,17-,19+,20-/m0/s1

InChIKey: ZDWWOLCFJBJTEE-QYBQCNLOSA-N

Reference

The cyclochlorotine mycotoxin is produced by the nonribosomal peptide synthetase CctN in <i>Talaromyces islandicus</i> (‘<i>Penicillium islandicum</i>’)

PubChem CID: 145720578

LOTUS: LTS0157095

SuperNatural Ⅲ: SN0467789-02

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NPAtlas: NPA024677

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Talaromyces islandicus	Talaromyces	Trichocomaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 556.4470000000002

TPSA？: 170.9

MolLogP？: 2.911000000000001

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi