Molecule ID: 9930678

IUPAC Name: 2-[12-hydroxy-3-(1-hydroxyethyl)-14-methyl-10-oxo-15-oxa-2-azapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-1(19),6,8,11,13(18)-pentaen-16-yl]acetic acid

Description: The molecule is an organic heteropentacyclic compound that is isolated from Streptomyces sp. A54238. It exhibits inhibitory efficacy against the growth of human tumour cells. It has a role as a metabolite, an antimicrobial agent and an antineoplastic agent. It is an organic heteropentacyclic compound, a member of phenols, a secondary alcohol, a cyclic ether, an organonitrogen heterocyclic compound, an enone, an oxo monocarboxylic acid and an aromatic ketone.

SMILES: CC1OC(CC(=O)O)Cc2c1c(O)c1c3c(c4n(c23)C(C(C)O)CC4)C=CC1=O

SELFIES: [C][C][O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][C][Branch1][C][O][=C][C][C][=Branch2][Ring1][=Branch1][=C][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][Branch1][C][Branch1][=Branch1][C][Branch1][C][C][O][C][C][Ring1][=Branch2][C][=C][C][Ring1][#C][=O]

InChI: InChI=1S/C22H23NO6/c1-9(24)14-4-5-15-12-3-6-16(25)20-19(12)21(23(14)15)13-7-11(8-17(26)27)29-10(2)18(13)22(20)28/h3,6,9-11,14,24,28H,4-5,7-8H2,1-2H3,(H,26,27)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 2.0