Chaetomugilide B
AlkaPlorer ID: AK083133
Synonym: None
IUPAC Name: (6aS)-5-chloro-2-(2-hydroxyethyl)-6a-methyl-9-(2-methylbut-2-enoyl)-3-[(3S)-3-methylpent-1-enyl]furo[2,3-h]isoquinoline-6,8-dione
Structure
SMILES: CC=C(C)C(=O)C1=C2C3=CN(CCO)C(C=C[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O
InChI: InChI=1S/C25H28ClNO5/c1-6-14(3)8-9-16-12-17-18(13-27(16)10-11-28)20-19(22(29)15(4)7-2)24(31)32-25(20,5)23(30)21(17)26/h7-9,12-14,28H,6,10-11H2,1-5H3/t14-,25-/m0/s1
InChIKey: ZWHHMQBLGKFXFB-SXBQZSJRSA-N
Reference
Cytotoxic azaphilone alkaloids from Chaetomium globosum TY1
PubChem CID: 139585298
LOTUS: LTS0206702
{NPAtlas: NPA007878
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaetomium globosum | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 457.9540000000003
TPSA？: 83.91
MolLogP？: 3.887400000000003
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|