Molecule ID: 12004204

IUPAC Name: (12R,13S)-12-acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-methylpentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),5,9,16,18(23),20-octaene-4,7,19,22-tetrone

Description: The molecule is an organic polycyclic compound that is a cytotoxic fungal pigment isolated from the fruiting bodies of the ascomycete Shiraia bambusicola. It has a role as a metabolite and an antineoplastic agent. It is an organic polycyclic compound, a polyphenol, an aromatic ether, a methyl ketone, a hydroxy-1,4-naphthoquinone and a tertiary alcohol.

SMILES: COC1=CC(=O)c2c(O)c(OC)c3c(c2C1=O)-c1c2c(c(O)c(OC)c1[C@@H](C(C)=O)[C@@](C)(O)C3)C(=O)C=C(OC)C2=O

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

InChI: InChI=1S/C30H26O12/c1-10(31)23-22-19(21-18(27(37)29(22)42-6)13(33)8-15(40-4)25(21)35)16-11(9-30(23,2)38)28(41-5)26(36)17-12(32)7-14(39-3)24(34)20(16)17/h7-8,23,36-38H,9H2,1-6H3/t23-,30+/m1/s1

Molecular Properties:
- Polar Surface Area: 183.0 Ų
- LogP: 3.1