Molecule ID: 70697946

IUPAC Name: methyl 3-[(1R,5S,6R,8R,11R)-11-hydroxy-5-methyl-9-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoate

Description: The molecule is a polycyclic cage with a 3-methoxy-3-oxopropyl side chain. It is isolated from Streptomyces platensis. It has a role as a metabolite. It is a cyclic ketone, a secondary alcohol, a polycyclic cage and a methyl ester.

SMILES: C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)OC)[C@@H]2C[C@@H]1C[C@H]3O

SELFIES: [C][=C][C][C@@][C][=C][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][=Branch2][C][C][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=C][C][C@@H1][Ring2][Ring1][C][C][C@H1][Ring2][Ring1][C][O]

InChI: InChI=1S/C18H24O4/c1-11-10-18-7-4-14(19)17(2,6-5-16(21)22-3)13(18)8-12(11)9-15(18)20/h4,7,12-13,15,20H,1,5-6,8-10H2,2-3H3/t12-,13+,15-,17+,18+/m1/s1

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 1.8