Molecule ID: 10092071

IUPAC Name: 11-hydroxy-20-(1-hydroxyethyl)-9-methyl-4,8-dioxa-21-azahexacyclo[10.9.1.02,10.03,7.016,22.017,21]docosa-1,10,12(22),14,16-pentaene-5,13-dione

Description: The molecule is an organic heterohexacyclic 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 heterohexacyclic compound, a member of phenols, an enone, an organonitrogen heterocyclic compound, a secondary alcohol, a cyclic ether, a gamma-lactone and an aromatic ketone.

SMILES: CC1OC2CC(=O)OC2c2c1c(O)c1c3c(c4n(c23)C(C(C)O)CC4)C=CC1=O

SELFIES: [C][C][O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][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/C22H21NO6/c1-8(24)11-4-5-12-10-3-6-13(25)18-17(10)20(23(11)12)19-16(21(18)27)9(2)28-14-7-15(26)29-22(14)19/h3,6,8-9,11,14,22,24,27H,4-5,7H2,1-2H3

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 1.7