ID: 45235
SMILES:C1(=O)CCCC2(c3c(cc(CCCCC)cc3O)OC2(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.724
InChIKey:CBOMMCPVYCQAQU-UHFFFAOYSA-N
ID: 45236
SMILES:C1(OC(=O)C)C2C(C3c4c(cc(CCCC)cc4O)OC3(C)C1)CC(C)CO2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -14.403
InChIKey:XQVRFYLSCFOGGI-UHFFFAOYSA-N
ID: 45237
SMILES:C1(C)=CCC2(C)CC1c1c(O)cc(CCC(OC)=O)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -14.6
InChIKey:HWQZBYGHTZKXNM-UHFFFAOYSA-N
ID: 45238
SMILES:CC1(C)C2C(c3c(O)cc(CCCCC)cc31)C=C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.594
InChIKey:GBBIYEKUPBZPNQ-UHFFFAOYSA-N
ID: 45239
SMILES:O(C(=O)C)C1C(C)CCC(=C(C)C)C1c1c(OC)cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.929
InChIKey:WIYIDODTVAUSOO-UHFFFAOYSA-N
ID: 45240
SMILES:O=C1CCC2(C)c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.123
InChIKey:ATNFHPKAEZAKFT-UHFFFAOYSA-N
ID: 45241
SMILES:C1(C(C)=C)Cc2c(c(C)cc(O)c2)Oc2c(c3c(c(O)c2CC2C(C)(C)OC(C)(C)C=C2)C=C3)C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.652
CB1 binding score: -15.538
InChIKey:DRDWNUBZOZZQBP-UHFFFAOYSA-N
ID: 45242
SMILES:c12c(c(O)cc(CCCCC)c1)-c1c(O)c(CC=C(C)C)c(O)cc1OC2(C)CCC=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -12.809
InChIKey:AZAHTYQYWCJEGR-UHFFFAOYSA-N
ID: 45243
SMILES:CC(C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.27
InChIKey:WPJGAEFIBVPIDI-UHFFFAOYSA-N
ID: 45244
SMILES:C(CCC)CCc1cc2c(c(OC)c1)C1C=C(C)CCC1C(O)(C)CCCC(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.657
CB1 binding score: -13.99
InChIKey:OAHPHNZQLZWRHW-UHFFFAOYSA-N
ID: 45245
SMILES:C(C(O)(c1c(OC2COc3c(ccc(C)c3)CC2)CC(C)CC1)C)CCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -12.7
InChIKey:ZVTTYGIFMQAYQP-UHFFFAOYSA-N
ID: 45246
SMILES:CC1=CC(c2cc(CCCCC)cc(O)c2)C(C(=CCC=C(C)C)C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.646
InChIKey:YBSWAUQQXAKBLG-UHFFFAOYSA-N
ID: 45247
SMILES:c1(O)cc(CCCCC)c(O)c(C2C=C(C)CCC2C(C)(CCC=C(C)C)O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.611
InChIKey:ABECFWQKGOEBKE-UHFFFAOYSA-N
ID: 45248
SMILES:C(C(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C)CC=C(CO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -18.124
InChIKey:GUMRKMJJLHFLMN-UHFFFAOYSA-N
ID: 45249
SMILES:c1(C)cc2c(c3c1CCC(C)(C3)Oc1c(O)c(CCCCC)c(C(O)=O)c(O)c1CC(C)C)OC(C1(C)OC1)=CC2C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 618.811
CB1 binding score: -17.844
InChIKey:DEZQDQGVOJNTPF-UHFFFAOYSA-N
ID: 45250
SMILES:CCCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 45251
SMILES:C(C)Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N
ID: 45252
SMILES:C1C(Cl)C(C)(C(Cl)CCC(CCl)=C)Oc2cc(O)cc(C(C(C(C)C)=O)c2O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 463.829
CB1 binding score: -14.239
InChIKey:VWRPAHABEHVHDU-UHFFFAOYSA-N
ID: 45253
SMILES:COC(=O)C(C)C(C1(CC)C=CCC1(c1ccccc1)c1c(OC)cc2c(c1O)C1C(C(C)(C)O2)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.667
CB1 binding score: -17.137
InChIKey:KXPOFXWQAKWNHL-UHFFFAOYSA-N
ID: 45254
SMILES:O=Cc1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.286
InChIKey:NQFUEDHWQJVOKZ-UHFFFAOYSA-N
ID: 45255
SMILES:c1(CCCCC)cc2c3c(c1O)OC(CCC=C(C)C)(C)C(C3)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.502
InChIKey:CNKXPHGOMZVIKW-UHFFFAOYSA-N