(1R,2S,3R,5S,6S)-2-[(1R,4aR,6R,8R,8aR)-4a,8-bis(acetyloxy)-1-(furan-3-yl)-8a-methyl-5-methylidene-3,7-dioxo-tetrahydro-2-benzopyran-6-yl]-5-hydroxy-3-(2-methoxy-2-oxoethyl)-2,4,4-trimethyl-6-{[(2E)-3-phenylprop-2-enoyl]oxy}cyclohexyl pyridine-3-carboxylat
AlkaPlorer ID: AK384353
Synonym: None
IUPAC Name: [2-[4a,8-diacetyloxy-1-(furan-3-yl)-8a-methyl-5-methylidene-3,7-dioxo-4,8-dihydro-1H-isochromen-6-yl]-5-hydroxy-3-(2-methoxy-2-oxoethyl)-2,4,4-trimethyl-6-(3-phenylprop-2-enoyloxy)cyclohexyl] pyridine-3-carboxylate
Structure
SMILES: C=C1C(C2(C)C(OC(=O)C3=CC=CN=C3)C(OC(=O)C=CC3=CC=CC=C3)C(O)C(C)(C)C2CC(=O)OC)C(=O)C(OC(C)=O)C2(C)C(C3=COC=C3)OC(=O)CC12OC(C)=O
InChI: InChI=1S/C46H49NO15/c1-25-35(36(53)40(58-26(2)48)45(7)39(30-18-20-57-24-30)60-34(52)22-46(25,45)62-27(3)49)44(6)31(21-33(51)56-8)43(4,5)38(54)37(41(44)61-42(55)29-15-12-19-47-23-29)59-32(50)17-16-28-13-10-9-11-14-28/h9-20,23-24,31,35,37-41,54H,1,21-22H2,2-8H3
InChIKey: FZFRPAHHXCUXKD-UHFFFAOYSA-N
Reference
Astrotrichilin, a limonoid from Astrotrichilia asterotricha
PubChem CID: 163005618
LOTUS: LTS0206546
COCONUT: CNP0279888.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astrotrichilia asterotricha | Astrotrichilia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 855.8900000000001
TPSA？: 221.13
MolLogP？: 5.094700000000005
Number of H-Donors: 1
Number of H-Acceptors: 16
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|