Verticillin H
AlkaPlorer ID: AK013105
Synonym: None
IUPAC Name: None
Structure
SMILES: [H][C@@]12N3C(=O)[C@]4(CC)SS[C@]3(C(=O)N4C)[C@@H](O)[C@]1([C@@]13C4=CC=CC=C4N[C@]1([H])N1C(=O)[C@]4(CC)SS[C@]1(C(=O)N4C)[C@H]3O)C1=CC=CC=C1N2
InChI: InChI=1S/C32H32N6O6S4/c1-5-27-23(41)37-21-29(15-11-7-9-13-17(15)33-21,19(39)31(37,47-45-27)25(43)35(27)3)30-16-12-8-10-14-18(16)34-22(30)38-24(42)28(6-2)36(4)26(44)32(38,20(30)40)48-46-28/h7-14,19-22,33-34,39-40H,5-6H2,1-4H3/t19-,20-,21+,22+,27-,28-,29+,30+,31-,32-/m0/s1
InChIKey: IWXDBCBSCQWNSZ-DAHOLIKWSA-N
Reference
Verticillins: fungal epipolythiodioxopiperazine alkaloids with chemotherapeutic potential
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana bufalina | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Clonostachys sp. | Clonostachys | Bionectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 724.9120000000001
TPSA？: 145.76
MolLogP？: 2.110999999999999
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|