Scoparasin D
AlkaPlorer ID: AK128206
Synonym: None
IUPAC Name: (1S,5E,7R,9S,11E,13S,14S,16S,17S,18S)-7,14-dihydroxy-18-[(4-methoxyphenyl)methyl]-7,9,16-trimethyl-15-methylidene-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11-diene-3,8,20-trione
Structure
SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=C(OC)C=C3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChI: InChI=1S/C29H35NO8/c1-16-7-6-8-21-24(31)18(3)17(2)23-22(15-19-9-11-20(36-5)12-10-19)30-26(33)29(21,23)38-27(34)37-14-13-28(4,35)25(16)32/h6,8-14,16-17,21-24,31,35H,3,7,15H2,1-2,4-5H3,(H,30,33)/b8-6+,14-13+/t16-,17+,21-,22-,23-,24+,28+,29+/m0/s1
InChIKey: ATSIWMYHXZOFEE-ZALRWKSGSA-N
Reference
Cytochalasans and Sesquiterpenes from <i>Eutypella scoparia</i> 1–15
PubChem CID: 156582270
{NPAtlas: NPA031515
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Scoparia | Crambidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 525.5980000000003
TPSA？: 131.39
MolLogP？: 2.8571000000000013
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|