2,6,8,11,12-pentahydroxy-11-(hydroxymethyl)-3,7-dimethyl-14-oxo-4-(propan-2-yl)-13-oxatetracyclo[5.5.3.0¹,?.0²,?]pentadec-3-en-5-yl 1H-pyrrole-2-carboxylate
AlkaPlorer ID: AK202370
Synonym: None
IUPAC Name: [2,6,8,11,12-pentahydroxy-11-(hydroxymethyl)-3,7-dimethyl-14-oxo-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-5-yl] 1H-pyrrole-2-carboxylate
Structure
SMILES: CC1=C(C(C)C)C(OC(=O)C2=CC=CN2)C2(O)C3(C)CC(=O)OC4(C(O)C(O)(CO)CCC34O)C12O
InChI: InChI=1S/C25H33NO10/c1-12(2)16-13(3)23(33)24(34,17(16)35-18(29)14-6-5-9-26-14)20(4)10-15(28)36-25(23)19(30)21(31,11-27)7-8-22(20,25)32/h5-6,9,12,17,19,26-27,30-34H,7-8,10-11H2,1-4H3
InChIKey: JBYNLPJMCTVJAE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ryania speciosa | Ryania | Salicaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 507.5360000000004
TPSA？: 189.77
MolLogP？: -0.6967999999999998
Number of H-Donors: 7
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|