Molecule

Cyclochlorotine B

AlkaPlorer ID: AK103476

Synonym: None

IUPAC Name: (3S,7R,10S,13S,16R,17R)-17-chloro-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)CCN2C(=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/C24H32ClN5O7/c1-2-15-21(34)29-17(11-31)22(35)28-16(13-6-4-3-5-7-13)10-19(33)26-18(12-32)24(37)30-9-8-14(25)20(30)23(36)27-15/h3-7,14-18,20,31-32H,2,8-12H2,1H3,(H,26,33)(H,27,36)(H,28,35)(H,29,34)/t14-,15+,16-,17+,18+,20+/m1/s1

InChIKey: TWLLLEZBOHPXTA-GZKCFLEVSA-N

Reference

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

PubChem CID: 145720577

LOTUS: LTS0138885

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NPAtlas: NPA024676

Source

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

Properties Information

Molecule Weight: 538.0010000000002

TPSA？: 191.13

MolLogP？: 1.6661

Number of H-Donors: 6

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi