1.0 2020-03-19 00:35:57 UTC 2020-11-18 16:35:09 UTC CDB000022 Delta-7-cis-iso-tetrahydrocannabivarin Delta-7-cis-iso-Tetrahydrocannabivarin belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. Delta-7-Cis-iso-Tetrahydrocannabivarin is a neutral compound . Delta-7-cis-iso-tetrahydrocannabivarin is one of more than 120 cannabinoid compounds that are known in cannabis plant (PMID: 6991645). It was first isolated from Thai cannabis in 1981 (DOI: 10.1248/cpb.29.3720) and is one of the 18 miscellaneous-type cannabinoids (DOI: 10.1093/acprof:oso/9780199662685.003.0001). C19H26O2 286.42 286.1933 (1R,9R,12R)-9-methyl-12-(prop-1-en-2-yl)-5-propyl-8-oxatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-3-ol (1R,9R,12R)-9-methyl-12-(prop-1-en-2-yl)-5-propyl-8-oxatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-3-ol CCCC1=CC(O)=C2[C@@H]3C[C@@](C)(CC[C@H]3C(C)=C)OC2=C1 InChI=1S/C19H26O2/c1-5-6-13-9-16(20)18-15-11-19(4,21-17(18)10-13)8-7-14(15)12(2)3/h9-10,14-15,20H,2,5-8,11H2,1,3-4H3/t14-,15+,19+/m0/s1 SBPMGFIOIRMBJJ-QMTMVMCOSA-N belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. 1-benzopyrans Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Hydrocarbon derivatives Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Phenol logp 5.72 ALOGPS logs -5.25 ALOGPS logp 5.11 ChemAxon pka_strongest_acidic 10.03 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (1R,9R,12R)-9-methyl-12-(prop-1-en-2-yl)-5-propyl-8-oxatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-3-ol ChemAxon average_mass 286.42 ChemAxon mono_mass 286.1933 ChemAxon smiles CCCC1=CC(O)=C2[C@@H]3C[C@@](C)(CC[C@H]3C(C)=C)OC2=C1 ChemAxon formula C19H26O2 ChemAxon inchi InChI=1S/C19H26O2/c1-5-6-13-9-16(20)18-15-11-19(4,21-17(18)10-13)8-7-14(15)12(2)3/h9-10,14-15,20H,2,5-8,11H2,1,3-4H3/t14-,15+,19+/m0/s1 ChemAxon inchikey SBPMGFIOIRMBJJ-QMTMVMCOSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 86.46 ChemAxon polarizability 34.04 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon 58828778 59444409 Turner CE, Elsohly MA, Boeren EG: Constituents of Cannabis sativa L. XVII. A review of the natural constituents. J Nat Prod. 1980 Mar-Apr;43(2):169-234. doi: 10.1021/np50008a001. 6991645 Svensson GP, Gunduz EA, Sjoberg N, Hedenstrom E, Lassance JM, Wang HL, Lofstedt C, Anderbrant O: Identification, synthesis, and behavioral activity of 5,11-dimethylpentacosane, a novel sex pheromone component of the greater wax moth, Galleria mellonella (L.). J Chem Ecol. 2014 Apr;40(4):387-95. doi: 10.1007/s10886-014-0410-8. Epub 2014 Apr 2. 24692052