4,5-dihydroxy-6-[(4-hydroxybenzoyloxy)methyl]-3-(1H-pyrrole-2-carbonyloxy)oxan-2-yl 1H-pyrrole-2-carboxylate
AlkaPlorer ID: AK357276
Synonym: None
IUPAC Name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]-2-(1H-pyrrole-2-carbonyloxy)oxan-3-yl] 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=C(O)C=C1
InChI: InChI=1S/C23H22N2O10/c26-13-7-5-12(6-8-13)20(29)32-11-16-17(27)18(28)19(34-21(30)14-3-1-9-24-14)23(33-16)35-22(31)15-4-2-10-25-15/h1-10,16-19,23-28H,11H2/t16-,17-,18+,19-,23+/m1/s1
InChIKey: COYDKDJYHPRCPT-YUWRVLAPSA-N
Reference
Chemistry of buprestins A and B. Bitter principles of jewel beetles (Coleoptera: Buprestidae)
PubChem CID: 12000431
LOTUS: LTS0242341
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stigmodera macularia | Stigmodera | Buprestidae | Coleoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 486.4330000000001
TPSA？: 180.4
MolLogP？: 0.7344999999999993
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|