4,5-dihydroxy-3-(1H-pyrrole-2-carbonyloxy)-6-[(1H-pyrrole-2-carbonyloxy)methyl]oxan-2-yl 1H-pyrrole-2-carboxylate
AlkaPlorer ID: AK487424
Synonym: None
IUPAC Name: [(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis(1H-pyrrole-2-carbonyloxy)oxan-2-yl]methyl 1H-pyrrole-2-carboxylate
Structure
SMILES: O=C(OC[C@H]1O[C@@H](OC(=O)C2=CC=CN2)[C@H](OC(=O)C2=CC=CN2)[C@@H](O)[C@@H]1O)C1=CC=CN1
InChI: InChI=1S/C21H21N3O9/c25-15-14(10-30-18(27)11-4-1-7-22-11)31-21(33-20(29)13-6-3-9-24-13)17(16(15)26)32-19(28)12-5-2-8-23-12/h1-9,14-17,21-26H,10H2/t14-,15-,16+,17-,21+/m1/s1
InChIKey: PEWLFUFCUXJGIA-IALVOCICSA-N
Reference
Chemistry of buprestins A and B. Bitter principles of jewel beetles (Coleoptera: Buprestidae)
PubChem CID: 101414001
LOTUS: LTS0116371
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stigmodera macularia | Stigmodera | Buprestidae | Coleoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 459.41100000000006
TPSA？: 175.95999999999998
MolLogP？: 0.3569999999999993
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|