Gliocladicillin A
AlkaPlorer ID: AK013092
Synonym: None
IUPAC Name: None
Structure
SMILES: [H][C@]12NC3=CC=CC=C3[C@@]1([C@]13C[C@@]45SS[C@@](C(C)O)(C(=O)N4[C@@]1([H])NC1=CC=CC=C31)N(C)C5=O)C[C@@]13SS[C@@](C)(C(=O)N21)N(C)C3=O
InChI: InChI=1S/C31H30N6O5S4/c1-15(38)31-25(42)37-21-28(17-10-6-8-12-19(17)33-21,14-30(37,45-46-31)24(41)35(31)4)27-13-29-23(40)34(3)26(2,43-44-29)22(39)36(29)20(27)32-18-11-7-5-9-16(18)27/h5-12,15,20-21,32-33,38H,13-14H2,1-4H3/t15?,20-,21-,26+,27+,28+,29+,30+,31+/m1/s1
InChIKey: OXNLCXNSBGGFTK-YBLGTFNASA-N
Reference
Verticillins: fungal epipolythiodioxopiperazine alkaloids with chemotherapeutic potential
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sclerotiorum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Gliocladium sp. | Gliocladium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Gliocladium sp. | Gliocladium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Gliocladium sp. | Gliocladium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 694.886
TPSA？: 125.52999999999997
MolLogP？: 2.7501000000000007
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|