Molecule

Hirsutellone F

AlkaPlorer ID: AK000583

Synonym: None

IUPAC Name: (3S,4R,7R,9S,10S,13S,14S,16R,20S,27S)-13-ethenyl-18-[(3S,4R,7R,9S,10S,13S,14S,16S,19R,27S)-13-ethenyl-19-hydroxy-7-methyl-15,17-dioxo-2-oxa-18-azahexacyclo[19.2.2.13,10.116,19.04,9.014,27]heptacosa-1(24),11,21(25),22-tetraen-26-yl]-7-methyl-2-oxa-18-azahexacyclo[20.2.2.13,10.04,9.016,20.014,27]heptacosa-1(25),11,22(26),23-tetraene-15,17,19-trione

Structure

SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)[C@@H]3C=C[C@@H]([C@H]4[C@H]3[C@H]2OC5=CC=C(C[C@H]6[C@H](C4=O)C(=O)N(C6=O)C7[C@H]8C(=O)[C@H]9[C@H](C=C[C@@H]1[C@@H]9[C@H]([C@H]2[C@H]1C[C@@H](CC2)C)OC1=CC=C(C[C@@]7(NC8=O)O)C=C1)C=C)C=C5)C=C

InChI: InChI=1S/C56H62N2O8/c1-5-31-13-21-35-39-23-27(3)7-19-37(39)50-44(35)42(31)48(59)46-41(25-29-9-15-33(65-50)16-10-29)54(62)58(55(46)63)52-47-49(60)43-32(6-2)14-22-36-40-24-28(4)8-20-38(40)51(45(36)43)66-34-17-11-30(12-18-34)26-56(52,64)57-53(47)61/h5-6,9-18,21-22,27-28,31-32,35-47,50-52,64H,1-2,7-8,19-20,23-26H2,3-4H3,(H,57,61)/t27-,28-,31+,32+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44+,45+,46-,47-,50+,51+,52?,56-/m1/s1

InChIKey: KEOVBZCNPLZCSV-KLXOJTCSSA-N

Reference

Optimization of culture conditions for production of the anti-tubercular alkaloid hirsutellone A by Trichoderma gelatinosum BCC 7579

PubChem CID: 71454107

Source

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

Properties Information

Molecule Weight: 891.1179999999999

TPSA？: 139.31

MolLogP？: 7.109600000000008

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 14

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	3.12	ug.mL-1	10.1016/j.ejmech.2011.12.029
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	3.12	ug.mL-1	10.1016/j.ejmech.2017.06.005