Molecule

Chlorotrithiobrevamide

AlkaPlorer ID: AK095579

Synonym: None

IUPAC Name: (1R,3R,4R,7R,8S,12S)-4-chloro-3,7-dihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.01,10.03,8]octadec-5-ene-11,17-dione

Structure

SMILES: COC1=CC=C(C2SSS[C@@]34C[C@]5(O)[C@H](Cl)C=C[C@@H](O)[C@@H]5ON3C(=O)[C@@H]2N=C4O)C(O)=C1OC

InChI: InChI=1S/C20H21ClN2O8S3/c1-29-10-5-3-8(13(25)14(10)30-2)15-12-17(26)23-20(18(27)22-12,33-34-32-15)7-19(28)11(21)6-4-9(24)16(19)31-23/h3-6,9,11-12,15-16,24-25,28H,7H2,1-2H3,(H,22,27)/t9-,11-,12-,15?,16+,19+,20-/m1/s1

InChIKey: TXXAZKKOCSTFPI-GHYZKQQQSA-N

Reference

Induced production of a new unprecedented epitrithiodiketopiperazine, chlorotrithiobrevamide, by a culture of the marine-derived Trichoderma cf. brevicompactum with dimethyl sulfoxide

PubChem CID: 139585992

LOTUS: LTS0145429

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NPAtlas: NPA010475

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Trichoderma sp.	Trichoderma	Hypocreaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 549.0480000000001

TPSA？: 141.28

MolLogP？: 2.330400000000001

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi