Molecule

Pretrichodermamide A

AlkaPlorer ID: AK086964

Synonym: None

IUPAC Name: (1R,3S,4R,7R,8S,12S)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.01,10.03,8]heptadec-5-ene-11,16-dione

Structure

SMILES: COC1=CC=C(C2SS[C@@]34C[C@]5(O)[C@H](O)C=C[C@@H](O)[C@@H]5ON3C(=O)[C@@H]2N=C4O)C(O)=C1OC

InChI: InChI=1S/C20H22N2O9S2/c1-29-10-5-3-8(13(25)14(10)30-2)15-12-17(26)22-20(33-32-15,18(27)21-12)7-19(28)11(24)6-4-9(23)16(19)31-22/h3-6,9,11-12,15-16,23-25,28H,7H2,1-2H3,(H,21,27)/t9-,11-,12-,15?,16+,19+,20-/m1/s1

InChIKey: PPQRKKLHNNMQJV-GHYZKQQQSA-N

Reference

Induced Production of Halogenated Epidithiodiketopiperazines by a Marine-Derived <i>Trichoderma</i> cf. <i>brevicompactum</i> with Sodium Halides

PubChem CID: 139585503

LOTUS: LTS0225031

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NPAtlas: NPA008617

Source

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

Properties Information

Molecule Weight: 498.5350000000002

TPSA？: 161.51

MolLogP？: 0.4356999999999996

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi