ID: 47083
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)C(OC(=O)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -16.649
InChIKey:VSGJSVCYNDIDNH-UHFFFAOYSA-N
ID: 47084
SMILES:CC1(C)Oc2c(c3c(c(C)c2)OC(CCC=C(C)C)(C)C=C3)CC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.59
InChIKey:KCJPXEQOOOEOGW-UHFFFAOYSA-N
ID: 47085
SMILES:CC1=CC2C(C(C)(C)Oc3cc4c(c(O)c3C(=O)OC)OC3(O2)C(C)CC(=O)C(C(CCCC(C)(C)O)C)=C34)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 568.707
CB1 binding score: -14.767
InChIKey:HFNAUWMRAGNLQU-UHFFFAOYSA-N
ID: 47086
SMILES:C1CC(C)(C)C2C3(O)Cc4c(cc(CCCCC)cc4OC)OC(C)(C)C3CCC(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.684
CB1 binding score: -15.662
InChIKey:VUNAVAGLPQPJBZ-UHFFFAOYSA-N
ID: 47087
SMILES:C1(C)(CCC=C(C)C)Oc2cc(CCCCC)c(C(=O)O)cc2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.718
InChIKey:BEMDFPISFCAMPJ-UHFFFAOYSA-N
ID: 47088
SMILES:C1C(C)=CCC2(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.228
InChIKey:XQYSGOVDVJLJAU-UHFFFAOYSA-N
ID: 47089
SMILES:C(C)(=CCCC(=CCCC(=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 47090
SMILES:CC1(C)Oc2c(c(C=O)cc(C)c2)C2C=C(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -16.48
InChIKey:DJQHTVUAMNRHAB-UHFFFAOYSA-N
ID: 47091
SMILES:C12C(C(C)(C)Oc3c1c(O)cc(O)c3C(C(C)C)=O)CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -18.957
InChIKey:VIYAGNJWEOQORJ-UHFFFAOYSA-N
ID: 47092
SMILES:CC(C)=CCc1cc(C(O)=O)cc2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 340.463
CB1 binding score: -18.289
InChIKey:IQAPGOHUQMLSCW-UHFFFAOYSA-N
ID: 47093
SMILES:c1(CCCc2cc(O)c3c(c2)OC(C)(C)C2C3C(O2)C(O)(C)C)ccccc1N
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 397.515
CB1 binding score: -17.375
InChIKey:RTHVBIQHKCYXHG-UHFFFAOYSA-N
ID: 47094
SMILES:C(CCc1cc(O)c(CC=C(CCC=C(C)C)C)c(OC)c1)C(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.123
InChIKey:OJRKBMBUHZBONH-UHFFFAOYSA-N
ID: 47095
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.029
InChIKey:HCVJHHUJBXZYBI-UHFFFAOYSA-N
ID: 47096
SMILES:O=C1C(C)CC2C(O)(C(C)(C)Oc3cc(CCCCC)c(C(=O)OC)c(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -15.217
InChIKey:GXDQJWKITAGKRI-UHFFFAOYSA-N
ID: 47097
SMILES:O1C(O)C(C)C23C(C1=O)C(C)CCC2C(C)(C)Oc1cc(CCCCC)cc(OC)c13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -13.6
InChIKey:LNXAPQSPZZLBQB-UHFFFAOYSA-N
ID: 47098
SMILES:C(CCCc1cc2c(c(O)c1C(=O)O)OC(C)(C)C1CCC(C)=CC12)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.943
InChIKey:KBWLDTPAZVVHQD-UHFFFAOYSA-N
ID: 47099
SMILES:C(Cc1cc(O)c(CC=C(CC=CC(C)(C)OC)C)c(OC(C(C)CC)=O)c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -11.745
InChIKey:WMZKJMKMHPWPMK-UHFFFAOYSA-N
ID: 47100
SMILES:C(c1c(OC(=O)C)c(OC(C)=O)c2c(c1)C1=C(C(C)(C)O2)CCC(C)(O)C1CC=C(C)C)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.66
CB1 binding score: Not available
InChIKey:ANBXIHSOUIOGPV-UHFFFAOYSA-N
ID: 47101
SMILES:CC(=CCCC(C)=CCCC(=CCc1c(O)cc(CCC)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 356.55
CB1 binding score: -18.934
InChIKey:LDZQKZLPWVBJOB-UHFFFAOYSA-N
ID: 47102
SMILES:CC(=C)C1CCC(=C)CC1c1c(O)cc(CC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.796
InChIKey:ZYAFBXBIOSPERA-UHFFFAOYSA-N
ID: 47103
SMILES:Oc1cc(O)c(CC=C(C)C)c2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.281
InChIKey:XRMAOXZXTDWHKU-UHFFFAOYSA-N