Sclerotioramine; N-(2-Hydroxyethyl), 7-O-(4-carboxy-3-methyl-2E-butenoyl), O-de-Ac
AlkaPlorer ID: AK313121
Synonym: Isochromophilone X
IUPAC Name: 5-[5-chloro-3-(3,5-dimethylhepta-1,3-dienyl)-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl]oxy-3-methyl-5-oxopent-3-enoic acid
Structure
SMILES: CCC(C)C=C(C)C=CC1=CC2=C(Cl)C(=O)C(C)(OC(=O)C=C(C)CC(=O)O)C(=O)C2=CN1CCO
InChI: InChI=1S/C27H32ClNO7/c1-6-16(2)11-17(3)7-8-19-14-20-21(15-29(19)9-10-30)25(34)27(5,26(35)24(20)28)36-23(33)13-18(4)12-22(31)32/h7-8,11,13-16,30H,6,9-10,12H2,1-5H3,(H,31,32)
InChIKey: ZRVRVSKUBHAMCG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bartalinia robillardoides | Bartalinia | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 518.0060000000004
TPSA？: 121.21
MolLogP？: 3.978300000000003
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|