Scoparasin C
AlkaPlorer ID: AK128203
Synonym: None
IUPAC Name: [(1aS,2S,2aS,5S,5aS,6S,6aR)-2-[(E,4S,6R)-6-hydroxy-8,8-dimethoxy-4,6-dimethyl-5-oxooct-1-enyl]-5-[(4-methoxyphenyl)methyl]-6,6a-dimethyl-3-oxo-1a,2,4,5,5a,6-hexahydrooxireno[2,3-f]isoindol-2a-yl] methyl carbonate
Structure
SMILES: COC(=O)O[C@@]12C(=O)N[C@@H](CC3=CC=C(OC)C=C3)[C@@H]1[C@H](C)[C@@]1(C)O[C@H]1[C@@H]2/C=C/C[C@H](C)C(=O)[C@](C)(O)CC(OC)OC
InChI: InChI=1S/C32H45NO10/c1-18(26(34)30(3,37)17-24(39-6)40-7)10-9-11-22-27-31(4,42-27)19(2)25-23(16-20-12-14-21(38-5)15-13-20)33-28(35)32(22,25)43-29(36)41-8/h9,11-15,18-19,22-25,27,37H,10,16-17H2,1-8H3,(H,33,35)/b11-9+/t18-,19-,22-,23-,25-,27-,30+,31+,32+/m0/s1
InChIKey: VKQSSGDBZIYSRW-JNZCSMIXSA-N
Reference
Cytochalasans and Sesquiterpenes from <i>Eutypella scoparia</i> 1–15
PubChem CID: 156582269
{NPAtlas: NPA031514
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Scoparia | Crambidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 603.7090000000003
TPSA？: 142.15
MolLogP？: 3.2090000000000014
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|