Trichorzianine A IIIC
AlkaPlorer ID: AK098675
Synonym: None
IUPAC Name: 2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[1,5-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-2-methylpropylidene]amino]-2-methylpropylidene]amino]-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-2-methylpropanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pentanediimidic acid
Structure
SMILES: CCC(C)C(N=C(O)C(C)(C)N=C(O)C(N=C(O)C1CCCN1C(=O)C(C)(C)N=C(O)C(CC(C)C)N=C(O)C(CO)N=C(O)C(C)(C)N=C(O)C(C)(C)N=C(O)C(C)(C)N=C(O)C(CCC(=N)O)N=C(O)C(C)(C)N=C(O)C(C)(C)N=C(O)C(C)N=C(O)C(C)N=C(O)C(C)(C)N=C(C)O)C(C)C)C(O)=NC(CCC(=N)O)C(O)=NC(CCC(=N)O)C(O)=NC(CO)CC1=CNC2=CC=CC=C12
InChI: InChI=1S/C91H149N23O24/c1-26-47(6)65(74(129)100-56(34-37-62(93)119)69(124)99-55(33-36-61(92)118)68(123)98-52(43-115)41-51-42-95-54-31-28-27-30-53(51)54)105-79(134)85(12,13)110-75(130)64(46(4)5)104-73(128)60-32-29-39-114(60)83(138)91(24,25)109-72(127)58(40-45(2)3)101-70(125)59(44-116)103-78(133)87(16,17)112-82(137)90(22,23)113-81(136)89(20,21)108-71(126)57(35-38-63(94)120)102-77(132)86(14,15)111-80(135)88(18,19)107-67(122)49(8)96-66(121)48(7)97-76(131)84(10,11)106-50(9)117/h27-28,30-31,42,45-49,52,55-60,64-65,95,115-116H,26,29,32-41,43-44H2,1-25H3,(H2,92,118)(H2,93,119)(H2,94,120)(H,96,121)(H,97,131)(H,98,123)(H,99,124)(H,100,129)(H,101,125)(H,102,132)(H,103,133)(H,104,128)(H,105,134)(H,106,117)(H,107,122)(H,108,126)(H,109,127)(H,110,130)(H,111,135)(H,112,137)(H,113,136)
InChIKey: YQCZBYHEPONFMB-UHFFFAOYSA-N
Reference
Structure of trichorzianine A IIIc, an antifungal peptide from Trichoderma harzianum
PubChem CID: 16132387
CAS: 97827-63-9
LOTUS: LTS0029721
COCONUT: CNP0339808
{NPAtlas: NPA020261
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma harzianum | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1949.33
TPSA？: 795.4200000000004
MolLogP？: 13.57211
Number of H-Donors: 27
Number of H-Acceptors: 24
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|