ID: 82405
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 82406
SMILES:C(C)(CCC=C(C)C)=CCc1c(OC(C)=O)cc(C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -19.332
InChIKey:HAXRQCRJABYNJC-UHFFFAOYSA-N
ID: 82407
SMILES:c1(C(C)C)c2c3c(cc1O)OC(C)(C)C(CCC(C)C)C3C(C(=O)C(C)C)Cc1c-2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.674
CB1 binding score: -7.272
InChIKey:CTJIGPWEXNYBLU-UHFFFAOYSA-N
ID: 82408
SMILES:C12(C(=O)C)CCC(O)(C)C(C1)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.296
InChIKey:GWWPDZTWENOSJO-UHFFFAOYSA-N
ID: 82409
SMILES:CC1=CC(c2c(O)cc(O)cc2CO)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.615
InChIKey:DVPXXWDEZHNHBG-UHFFFAOYSA-N
ID: 82410
SMILES:C12(c3c(cc(CCCCC)cc3O)OC1(C)C)OC(C)(C)C(Br)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 397.353
CB1 binding score: -14.311
InChIKey:CRRXOMYNMPAKNZ-UHFFFAOYSA-N
ID: 82411
SMILES:c1(OCC)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.752
InChIKey:XOAHTHGPQALFJE-UHFFFAOYSA-N
ID: 82412
SMILES:C1C2C(C)(C)C(CC3(C)OC4(c5ccccc5)OC3c3ccc(CCCCCC)cc3O4)C=C2C(O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.695
CB1 binding score: -12.209
InChIKey:VAYJSQPMADARHB-UHFFFAOYSA-N
ID: 82413
SMILES:C1(CCC=C(C)C)(C)Oc2c(c(O)cc(CCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 82414
SMILES:C(C=C(C)C)CC(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 82415
SMILES:c1(CCC)cc(O)c(CC=C(C)CCC=C(C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.432
CB1 binding score: -17.127
InChIKey:OPXKVEGAXOYJHJ-UHFFFAOYSA-N
ID: 82416
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCCOC(CCCCCCCC)=O)c(C(O)=O)c2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.676
CB1 binding score: -15.633
InChIKey:CYDVQMSGMAIUJU-UHFFFAOYSA-N
ID: 82417
SMILES:c12c(O)c(C(=O)O)c(CCCCC)cc1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.507
InChIKey:YKKHSYLGQXKVMO-UHFFFAOYSA-N
ID: 82418
SMILES:C(COc1cc(CCCCC)cc2c1OC(C)(C)C1(O)C=C(C(C)=CCC1)O2)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -16.285
InChIKey:PYLBJQSWNQAODI-UHFFFAOYSA-N
ID: 82419
SMILES:C(CCCC)Cc1cc2c(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: 82420
SMILES:CC1(C)C2(CC(Br)C(Cl)(C)CC2)c2c(cc(CCCCC)c(C(OC)=O)c2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 487.862
CB1 binding score: -15.183
InChIKey:WTZZHFFTXVRYPM-UHFFFAOYSA-N
ID: 82421
SMILES:CCCCCCc1c(C2C(C(C)C)CCC(CO)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.647
CB1 binding score: -12.769
InChIKey:MPSUWTXJEGIIDI-UHFFFAOYSA-N
ID: 82422
SMILES:c12c(O)cc(CCCC)cc1C1=C(C(C)(C)O2)CCC(C(O)=O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -15.904
InChIKey:AVDNMCMTVWZWKA-UHFFFAOYSA-N
ID: 82423
SMILES:C12C(O)(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -14.558
InChIKey:DXYAJGVDYJOQQL-UHFFFAOYSA-N
ID: 82424
SMILES:CC(C)C1C(c2c(O)cc(CCCCC)cc2)C=C(C=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.603
InChIKey:UDVKRYSVKZXUEX-UHFFFAOYSA-N
ID: 82425
SMILES:C1(C)=CC(c2c(O)cccc2OC)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.829
InChIKey:FPBTVEQKCBCFLI-UHFFFAOYSA-N