Scoparasin A
AlkaPlorer ID: AK060282
Synonym: None
IUPAC Name: (1R,5E,7S,9R,11E,13R,14R,17R,18R)-7,14-dihydroxy-18-[(4-methoxyphenyl)methyl]-7,9,15,16-tetramethyl-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11,15-triene-3,8,20-trione
Structure
SMILES: COC1=CC=C(C[C@H]2N=C(O)[C@]34OC(=O)O/C=C/[C@](C)(O)C(=O)[C@H](C)C/C=C/[C@@H]3[C@@H](O)C(C)=C(C)[C@H]24)C=C1
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/h6,8-14,16,21-24,31,35H,7,15H2,1-5H3,(H,30,33)/b8-6+,14-13+/t16-,21-,22-,23-,24+,28+,29+/m1/s1
InChIKey: UKXQRSOMKIGRCJ-ZLVRRUFZSA-N
Reference
PubChem CID: 139588624
LOTUS: LTS0123832
SuperNatural Ⅲ: SN0373196-04
{NPAtlas: NPA019907
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Scoparia | Crambidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 525.5980000000003
TPSA？: 134.88
MolLogP？: 3.841500000000004
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|