Molecule

Cyclochlorotine

AlkaPlorer ID: AK039470

Synonym: None

IUPAC Name: (3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-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](CO)N=C(O)C[C@H](C2=CC=CC=C2)N=C(O)[C@H](CO)N=C1O

InChI: InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-16(10-32)22(36)29-15(12-6-4-3-5-7-12)8-18(34)27-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-14/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,36)(H,30,35)/t13-,14+,15-,16+,17+,19-,20+/m1/s1

InChIKey: PMBVHCCVEPYDSN-BADCMNFISA-N

Reference

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

PubChem CID: 57134655

LOTUS: LTS0211738

SuperNatural Ⅲ: SN0289138-02

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NPAtlas: NPA009940

Source

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

Properties Information

Molecule Weight: 572.4460000000003

TPSA？: 191.13

MolLogP？: 1.8834

Number of H-Donors: 6

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi