1.0 2010-04-08 22:15:24 UTC 2019-11-26 03:19:45 UTC FDB021008 Heterophylol Constituent of the root bark of Artocarpus heterophyllus (jackfruit). Heterophylol is found in fruits. 6a,7,12,12a-Tetrahydro-9,11-dimethoxy-6,6-dimethyl-8-(3-methyl-2-butenyl)-6H-benzo[b]naphtho[2,3-d]pyran-3-ol, 9CI C26H32O4 408.5299 408.230059512 9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-6H-5-oxatetraphen-3-ol 9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol 152841-81-1 COC1=CC(OC)=C2CC3C(CC2=C1CC=C(C)C)C(C)(C)OC1=C3C=CC(O)=C1 InChI=1S/C26H32O4/c1-15(2)7-9-17-19-13-22-20(12-21(19)24(29-6)14-23(17)28-5)18-10-8-16(27)11-25(18)30-26(22,3)4/h7-8,10-11,14,20,22,27H,9,12-13H2,1-6H3 VDNFSSVVXBUKRX-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Naphthopyrans Organic compounds Organoheterocyclic compounds Naphthopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Anisoles Hydrocarbon derivatives Naphthalenes Oxacyclic compounds Pyrans Tetralins 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Hydrocarbon derivative Naphthalene Naphthopyran Organic oxygen compound Organooxygen compound Oxacycle Pyran Tetralin logp 6.22 ALOGPS logs -5.72 ALOGPS solubility 7.78e-04 g/l ALOGPS melting_point Mp 217-218° logp 5.94 ChemAxon pka_strongest_acidic 9.76 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-6H-5-oxatetraphen-3-ol ChemAxon average_mass 408.5299 ChemAxon mono_mass 408.230059512 ChemAxon smiles COC1=CC(OC)=C2CC3C(CC2=C1CC=C(C)C)C(C)(C)OC1=C3C=CC(O)=C1 ChemAxon formula C26H32O4 ChemAxon inchi InChI=1S/C26H32O4/c1-15(2)7-9-17-19-13-22-20(12-21(19)24(29-6)14-23(17)28-5)18-10-8-16(27)11-25(18)30-26(22,3)4/h7-8,10-11,14,20,22,27H,9,12-13H2,1-6H3 ChemAxon inchikey VDNFSSVVXBUKRX-UHFFFAOYSA-N ChemAxon polar_surface_area 47.92 ChemAxon refractivity 120.99 ChemAxon polarizability 46.89 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12791 Specdb::CMs 47133 Specdb::CMs 155535 Specdb::MsMs 9083 Specdb::MsMs 9084 Specdb::MsMs 9085 Specdb::MsMs 15755 Specdb::MsMs 15756 Specdb::MsMs 15757 Specdb::MsMs 2449480 Specdb::MsMs 2449481 Specdb::MsMs 2449482 Specdb::MsMs 2485527 Specdb::MsMs 2485528 Specdb::MsMs 2485529 HMDB41126 #<Reference:0x000055ce320a0f18> Fruits Unknown generic