Molecule

Trichodermamide A; 5-Deoxy, 5R-chloro

AlkaPlorer ID: AK316311

Synonym: Trichodermamide B

IUPAC Name: 5-chloro-N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,8-dihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide

Structure

SMILES: COC1=CC=C2C=C(NC(=O)C3=NOC4C(O)C=CC(Cl)C4(O)C3)C(=O)OC2=C1OC

InChI: InChI=1S/C20H19ClN2O8/c1-28-13-5-3-9-7-10(19(26)30-15(9)16(13)29-2)22-18(25)11-8-20(27)14(21)6-4-12(24)17(20)31-23-11/h3-7,12,14,17,24,27H,8H2,1-2H3,(H,22,25)

InChIKey: ROOWAKADKHUVSQ-UHFFFAOYSA-N

Reference

Total Synthesis of (±)‐Trichodermamide B and of a Putative Biosynthetic Precursor to Aspergillazine A Using an Oxaza‐Cope Rearrangement

PubChem CID: 22298190

CAS: 508218-12-0

LOTUS: LTS0109431

COCONUT: CNP0157318.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Trichoderma cf. brevicompactum TPU199	Trichoderma	Hypocreaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Trichoderma virens	Trichoderma	Hypocreaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 450.8310000000002

TPSA？: 139.82000000000002

MolLogP？: 1.1627999999999998

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi