(8r)-11-({[3,5-bis(acetyloxy)-4-hydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl (2e)-3-(1-methylimidazol-4-yl)prop-2-enoate
AlkaPlorer ID: AK000822
Synonym: '(8R)-11-({3,5-bis(acetyloxy)-4-hydroxyoxan-2-yloxy}methyl)-12-hydroxy-1,5-dimethyl-8-(propan-2-yl)-15-oxatricyclo10.2.1.0⁴,⁹pentadeca-5,10,13-trien-2-yl (2E)-3-(1-methyl-1H-imidazol-4-yl)prop-2-enoate'
IUPAC Name: [(8R)-11-[(3,5-diacetyloxy-4-hydroxyoxan-2-yl)oxymethyl]-12-hydroxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate
Structure
SMILES: CC(=O)OC1COC(OCC2=CC3C(CC(OC(=O)/C=C/C4=CN(C)C=N4)C4(C)C=CC2(O)O4)C(C)=CC[C@@H]3C(C)C)C(OC(C)=O)C1O
InChI: InChI=1S/C36H48N2O11/c1-20(2)26-10-8-21(3)27-15-30(48-31(41)11-9-25-16-38(7)19-37-25)35(6)12-13-36(43,49-35)24(14-28(26)27)17-44-34-33(47-23(5)40)32(42)29(18-45-34)46-22(4)39/h8-9,11-14,16,19-20,26-30,32-34,42-43H,10,15,17-18H2,1-7H3/b11-9+,24-14?/t26-,27?,28?,29?,30?,32?,33?,34?,35?,36?/m1/s1
InChIKey: HNKWFVHGKPZRLM-NJGGOGJXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Parasphaerasclera aurea | Parasphaerasclera | Parasphaerascleridae | Scleralcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 684.7830000000002
TPSA？: 164.87
MolLogP？: 3.1607000000000016
Number of H-Donors: 2
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|