Roseocardin
AlkaPlorer ID: AK312683
Synonym: Roseotoxin A
IUPAC Name: 16-butan-2-yl-10,11,14,20-tetramethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Structure
SMILES: CCC(C)C1N=C(O)C2C(C)CCN2C(=O)C(CC(C)C)OC(=O)CCN=C(O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O
InChI: InChI=1S/C31H53N5O7/c1-11-19(6)24-30(41)35(10)25(18(4)5)31(42)34(9)21(8)27(38)32-14-12-23(37)43-22(16-17(2)3)29(40)36-15-13-20(7)26(36)28(39)33-24/h17-22,24-26H,11-16H2,1-10H3,(H,32,38)(H,33,39)
InChIKey: IXHIUUIJSWNPTJ-UHFFFAOYSA-N
Reference
Roseocardin, a Novel Cardiotonic Cyclodepsipeptide from Trichothecium roseum TT103.
PubChem CID: 51340752
CAS: 168972-17-6
LOTUS: LTS0153965
COCONUT: CNP0231979.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichothecium roseum | Trichothecium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Beauveria felina | Beauveria | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 607.7930000000001
TPSA？: 152.41000000000005
MolLogP？: 3.242600000000004
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|