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Trichodermamide B

AlkaPlorer ID: AK025229

Synonym: None

IUPAC Name: (4aR,5R,8R,8aS)-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=NO[C@H]4[C@H](O)C=C[C@@H](Cl)[C@@]4(O)C3)C(=O)OC2=C1OC

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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)/t12-,14-,17+,20+/m1/s1

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InChIKey: ROOWAKADKHUVSQ-OVCSSCHWSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
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
Candida albicans Candida albicans MIC 15.0 ug.mL-1 10.1021/np0204390
Enterococcus faecium Enterococcus faecium MIC 15.0 ug.mL-1 10.1021/np0204390
Homo sapiens A549 Activity nan None 10.1016/j.bmc.2017.10.044
Homo sapiens HCT-116 IC50 0.32 ug.mL-1 10.1016/j.bmcl.2008.03.090
Homo sapiens HCT-116 IC50 0.32 ug.mL-1 10.1021/np0204390
Homo sapiens HeLa Activity nan None 10.1021/acs.jnatprod.6b00963
Homo sapiens HeLa IC50 3100.0 nM 10.1021/acs.jnatprod.6b00963
Homo sapiens HeLa IC85 18.0 uM 10.1021/acs.jnatprod.6b00963
Homo sapiens HeLa Inhibition nan % 10.1021/acs.jnatprod.6b00963
Homo sapiens HepG2 Activity nan None 10.1016/j.bmc.2017.10.044
Homo sapiens PC-9 Activity nan None 10.1016/j.bmc.2017.10.044
Homo sapiens Serine/threonine-protein kinase Chk1 Activity nan None 10.1021/acs.jnatprod.6b00963
Homo sapiens Serine/threonine-protein kinase Chk2 Activity nan None 10.1021/acs.jnatprod.6b00963
Staphylococcus aureus Staphylococcus aureus MIC 15.0 ug.mL-1 10.1021/np0204390
None Unchecked Activity nan None 10.1021/acs.jnatprod.6b00963

Metabolism Information