3,4,6,9,11,13,14-heptahydroxy-2-methoxy-3,7,10-trimethyl-11-(propan-2-yl)-15-oxapentacyclo[7.5.1.0¹,?.0?,¹³.0¹?,¹?]pentadecan-12-yl 1H-pyrrole-2-carboxylate
AlkaPlorer ID: AK240290
Synonym: None
IUPAC Name: (3,4,6,9,11,13,14-heptahydroxy-2-methoxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl) 1H-pyrrole-2-carboxylate
Structure
SMILES: COC1C(C)(O)C(O)CC2(O)C3(C)CC4(O)OC12C1(O)C3(O)C(OC(=O)C2=CC=CN2)C(O)(C(C)C)C41C
InChI: InChI=1S/C26H37NO11/c1-12(2)23(33)17(37-15(29)13-8-7-9-27-13)24(34)18(3)11-22(32)20(23,5)26(24,35)25(38-22)16(36-6)19(4,30)14(28)10-21(18,25)31/h7-9,12,14,16-17,27-28,30-35H,10-11H2,1-6H3
InChIKey: HHMHQQMOGMCRFI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ryania speciosa | Ryania | Salicaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 539.5780000000001
TPSA？: 202.16
MolLogP？: -1.4477999999999966
Number of H-Donors: 8
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|