{"atc_classifications": [], "availability_type": -1, "biotherapeutic": null, "black_box_warning": 0, "chemical_probe": 0, "chirality": -1, "cross_references": [], "dosed_ingredient": false, "first_approval": null, "first_in_class": -1, "helm_notation": null, "inorganic_flag": -1, "max_phase": null, "molecule_chembl_id": "CHEMBL1", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1", "molecule_chembl_id": "CHEMBL1", "parent_chembl_id": "CHEMBL1"}, "molecule_properties": {"alogp": "4.87", "aromatic_rings": 2, "full_molformula": "C32H32O8", "full_mwt": "544.60", "hba": 8, "hbd": 0, "heavy_atoms": 40, "mw_freebase": "544.60", "np_likeness_score": "0.75", "num_ro5_violations": 1, "psa": "89.52", "qed_weighted": "0.39", "ro3_pass": "N", "rtb": 2}, "molecule_structures": {"canonical_smiles": "COc1ccc2c(c1)OC[C@H]1[C@@H]2C2=C(OC1(C)C)C1=C(C(=O)C2=O)[C@H]2c3ccc(OC)cc3OC[C@H]2C(C)(C)O1", "molfile": "\n RDKit 2D\n\n 44 50 0 0 0 0 0 0 0 0999 V2000\n 15.8842 -2.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8842 -0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1695 -1.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1695 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7385 -1.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4563 -2.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5989 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3115 -0.3649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8842 0.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8840 -2.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1452 -2.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0156 -1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7385 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4529 -0.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0255 0.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0240 -0.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7433 0.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3130 -2.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7385 -2.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4626 -1.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2816 -1.1041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7399 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4501 0.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1613 0.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1637 1.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4489 2.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7405 1.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0207 -3.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3105 -2.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4479 2.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1646 3.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5915 -1.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6010 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3025 -3.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0278 -1.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7445 -2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.4573 -1.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.4546 -0.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7332 -0.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0233 -0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1696 -0.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 20.8889 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1816 -3.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0097 -3.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19 36 1 0\n 32 18 1 0\n 14 20 1 1\n 18 21 1 1\n 2 9 2 0\n 4 2 1 0\n 22 23 2 0\n 1 10 1 0\n 23 24 1 0\n 3 1 1 0\n 24 25 2 0\n 5 11 1 0\n 25 26 1 0\n 1 32 2 0\n 26 27 2 0\n 27 22 1 0\n 5 12 1 0\n 13 14 1 0\n 28 29 1 0\n 29 33 1 0\n 3 6 1 0\n 26 30 1 0\n 4 14 1 0\n 30 31 1 0\n 13 5 1 0\n 7 32 1 0\n 5 6 1 0\n 10 33 1 0\n 13 16 1 0\n 29 34 1 1\n 14 23 1 0\n 22 15 1 0\n 35 36 2 0\n 15 16 1 0\n 36 37 1 0\n 7 2 1 0\n 37 38 2 0\n 13 17 1 1\n 38 39 1 0\n 35 18 1 0\n 39 40 2 0\n 40 35 1 0\n 3 4 2 0\n 38 41 1 0\n 7 8 2 0\n 41 42 1 0\n 18 29 1 0\n 33 43 1 0\n 28 19 1 0\n 33 44 1 0\nM END\n> \nCHEMBL1\n\n> \nNone", "standard_inchi": "InChI=1S/C32H32O8/c1-31(2)19-13-37-21-11-15(35-5)7-9-17(21)23(19)25-27(33)28(34)26-24-18-10-8-16(36-6)12-22(18)38-14-20(24)32(3,4)40-30(26)29(25)39-31/h7-12,19-20,23-24H,13-14H2,1-6H3/t19-,20+,23+,24-", "standard_inchi_key": "GHBOEFUAGSHXPO-XZOTUCIWSA-N"}, "molecule_synonyms": [], "molecule_type": "Small molecule", "natural_product": 0, "oral": false, "orphan": -1, "parenteral": false, "polymer_flag": 0, "pref_name": null, "prodrug": -1, "structure_type": "MOL", "therapeutic_flag": false, "topical": false, "usan_stem": null, "usan_stem_definition": null, "usan_substem": null, "usan_year": null, "veterinary": -1, "withdrawn_flag": false}