1.0 2010-04-08 22:09:27 UTC 2019-11-26 03:04:32 UTC FDB011076 Antibiotic CP 412065 Metabolite of Hericium ramosum. Antibiotic CP 412065 is found in mushrooms. Antibiotic CP 412065 CP 412065 C25H34O6 430.5339 430.23553882 9,12-dimethyl-6-(propan-2-yl)-14,16-dioxahexacyclo[16.3.1.0⁴,¹².0⁵,⁹.0¹³,²¹.0¹⁵,²⁰]docosa-1,5,7-triene-18,19,20,22-tetrol 6-isopropyl-9,12-dimethyl-14,16-dioxahexacyclo[16.3.1.0⁴,¹².0⁵,⁹.0¹³,²¹.0¹⁵,²⁰]docosa-1,5,7-triene-18,19,20,22-tetrol 68373-14-8 CC(C)C1=C2C3CC=C4C5C(OC6OCC(O)(C4O)C(O)C56O)C3(C)CCC2(C)C=C1 InChI=1S/C25H34O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,7-8,12,15,17-21,26-29H,6,9-11H2,1-4H3 IFVVQPINBOCQHT-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic heteropolycyclic compounds Acetals Cyclic alcohols and derivatives Furans Furopyrans Hydrocarbon derivatives Monosaccharides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Diterpenoid Furan Furopyran Hydrocarbon derivative Monosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Pyran Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 2.57 ALOGPS logs -2.84 ALOGPS solubility 6.29e-01 g/l ALOGPS logp 0.93 ChemAxon pka_strongest_acidic 11.51 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 9,12-dimethyl-6-(propan-2-yl)-14,16-dioxahexacyclo[16.3.1.0⁴,¹².0⁵,⁹.0¹³,²¹.0¹⁵,²⁰]docosa-1,5,7-triene-18,19,20,22-tetrol ChemAxon average_mass 430.5339 ChemAxon mono_mass 430.23553882 ChemAxon smiles CC(C)C1=C2C3CC=C4C5C(OC6OCC(O)(C4O)C(O)C56O)C3(C)CCC2(C)C=C1 ChemAxon formula C25H34O6 ChemAxon inchi InChI=1S/C25H34O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,7-8,12,15,17-21,26-29H,6,9-11H2,1-4H3 ChemAxon inchikey IFVVQPINBOCQHT-UHFFFAOYSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 115.61 ChemAxon polarizability 46.93 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20240 Specdb::CMs 43082 Specdb::CMs 165344 Specdb::MsMs 75111 Specdb::MsMs 75112 Specdb::MsMs 75113 Specdb::MsMs 134682 Specdb::MsMs 134683 Specdb::MsMs 134684 Specdb::MsMs 2812238 Specdb::MsMs 2812239 Specdb::MsMs 2812240 Specdb::MsMs 2896809 Specdb::MsMs 2896810 Specdb::MsMs 2896811 HMDB33081 #<Reference:0x000055ce3188ac98> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322