ID: 85177
SMILES:C(CCC)CCCCCCCCCCCC(OCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)(O)CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 546.789
CB1 binding score: -15.965
InChIKey:UPEKBDSCQVLPMB-UHFFFAOYSA-N
ID: 85178
SMILES:c1c2c(cc(C(C)(C)CCCC(C)C)c1)OC(C)(CCC=C(C)C)C(O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.593
CB1 binding score: -15.507
InChIKey:NYEYFPAODMOTTO-UHFFFAOYSA-N
ID: 85179
SMILES:C1C(Oc2cc(CCCCC)cc3c2OC(C)(C)C2CCC(C)=C3)OC(C)C(OC)C=C2OC(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.704
CB1 binding score: -15.227
InChIKey:LCFYOTMKNYMVOF-UHFFFAOYSA-N
ID: 85180
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 85181
SMILES:C1(C)(C)OC1CCC1(C)Oc2cc(C)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -19.337
InChIKey:CPBHEJIKHIHMDY-UHFFFAOYSA-N
ID: 85182
SMILES:CC1(C)Oc2cc(C)c(OC)cc2C2=C1C=C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -12.484
InChIKey:LEOKZBOMVPCDNA-UHFFFAOYSA-N
ID: 85183
SMILES:CC1(C)OC(=O)C23c4c(cc(CCC(C(C)(C)O)O)cc4)CCC3(O)CCC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.474
InChIKey:MMVBDJOWBKSOGC-UHFFFAOYSA-N
ID: 85184
SMILES:c1(C=O)c(O)c(C(O)=O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.353
CB1 binding score: -15.376
InChIKey:JDJXAAGJBFSFIX-UHFFFAOYSA-N
ID: 85185
SMILES:CC(CCC=C(C)C)(C=Cc1c(O)cc(CCCCC)cc1OC)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.034
InChIKey:QASRARIFUBVEMD-UHFFFAOYSA-N
ID: 85186
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C(O)=O)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 85187
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)c1c-2c(C)cc(C)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.383
CB1 binding score: -14.592
InChIKey:BPXGNPJXCOOQNN-UHFFFAOYSA-N
ID: 85188
SMILES:Oc1cc(CCC)cc2c1OC(CCC=C(C)C)(C)C(O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.42
InChIKey:QOCXFHXFLAQMBN-UHFFFAOYSA-N
ID: 85189
SMILES:Cc1c(CCC2(C)Oc3c(O)c(OC)cc(CCCCC)c3)C(C)=CCC2C(C)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -14.75
InChIKey:JBDKEKQQGYDTAH-UHFFFAOYSA-N
ID: 85190
SMILES:CC12C3C1c1c(cc(CCCCC)c(C(=O)O)c1O)OC(C)(C)C3CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.329
InChIKey:RUKNEBZLQNESOX-UHFFFAOYSA-N
ID: 85191
SMILES:c1(CC)c2c(cc(O)c1O)-c1c(O)cc(CCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.385
InChIKey:QJCPAYJTVLKODE-UHFFFAOYSA-N
ID: 85192
SMILES:Oc1c2c(c(CCCCC)cc1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.388
InChIKey:HBNKKKSWEWQCJU-UHFFFAOYSA-N
ID: 85193
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)-c2cc(O)c(CC=C(CCC=C(C)C)C)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -16.217
InChIKey:GCKAYBPEWIVWKX-UHFFFAOYSA-N
ID: 85194
SMILES:C(=CCCC(C)=CCCC(=CCc1c(O)cc(CC(O)C)cc1O)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 372.549
CB1 binding score: -16.85
InChIKey:KRJSETCRDBBKGS-UHFFFAOYSA-N
ID: 85195
SMILES:CC(C)C1(OC)CCC(C)=CC1c1c(O)c(C(O)=O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -16.655
InChIKey:XTRMKZDGUVFDBN-UHFFFAOYSA-N
ID: 85196
SMILES:c1(CCCCC)cc2c(cc1O)C1C3C(C(C)(C)O2)CCC(C)(C3=O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.249
InChIKey:VRUNEDPKSXZIDU-UHFFFAOYSA-N
ID: 85197
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C(O)=O)CC1)C=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -16.032
InChIKey:YYMZGEXBEQDGEE-UHFFFAOYSA-N