ID: 82111
SMILES:CC(O)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 82112
SMILES:O=C(O)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -15.172
InChIKey:YOLGWZKLGFZUNC-UHFFFAOYSA-N
ID: 82113
SMILES:C1(C)(C)Oc2cc(-c3ccccc3)cc(CCCCC)c2C2=C1C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.541
CB1 binding score: -15.846
InChIKey:OFWYXJHEPLDYOD-UHFFFAOYSA-N
ID: 82114
SMILES:C1=CC(=C)C(Cl)C2C1C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.925
CB1 binding score: -15.468
InChIKey:KEKIDGDQRNFMTB-UHFFFAOYSA-N
ID: 82115
SMILES:CCCCCc1cc2c(c(O)c1)CC1(O)C(C)(CC(C=C(C)C)O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.36
InChIKey:XSVTYYHVSNLGIO-UHFFFAOYSA-N
ID: 82116
SMILES:C12(Oc3c4c(c(C(=O)CCC)cc3O)OC(C)(C)C(O)C4)C(=C(CC)C(=O)O1)OC(C)(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.55
CB1 binding score: -12.027
InChIKey:LTXUJRKXRFMRRW-UHFFFAOYSA-N
ID: 82117
SMILES:C1CC2(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C3OC(C)(C)C4C3C(C14)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: -12.548
InChIKey:BUJFUTMYXWLAMU-UHFFFAOYSA-N
ID: 82118
SMILES:C1(C)C2C(O)(c3c(cc(CCCCC)c(C(=O)O)c3O)OC2(C)C)C2OC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: -16.706
InChIKey:HYMLSPNFMXCDAR-UHFFFAOYSA-N
ID: 82119
SMILES:CC(=CCc1c(O)c(CC=C(CCC=C(C)C)C)c(O)cc1CCCCCCCC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.685
CB1 binding score: -17.363
InChIKey:MHZDZRLZIMMEHI-UHFFFAOYSA-N
ID: 82120
SMILES:C12C(C(C)C3C(C(C)CC3)C1=O)C(C)(C)Oc1c2ccc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.979
InChIKey:HLONCOTVAYBWFF-UHFFFAOYSA-N
ID: 82121
SMILES:C1(C)(C)C2CC=C(C)CC2c2c(cccc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.418
InChIKey:UEUDZYHJJLDGIZ-UHFFFAOYSA-N
ID: 82122
SMILES:C1(C)(O)C2C3c4c(O)cc(CCC)cc4OC(O)(CC=C(C)C)C2(C(=C)C(=O)C3=O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.481
CB1 binding score: -12.737
InChIKey:GZJPULVZOGYMFS-UHFFFAOYSA-N
ID: 82123
SMILES:C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 314.469
CB1 binding score: -18.27
InChIKey:PBVXSNIWCHRXCN-UHFFFAOYSA-N
ID: 82124
SMILES:C(C)(C)C(=O)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.058
InChIKey:ZSECVBNOIGOMHG-UHFFFAOYSA-N
ID: 82125
SMILES:c12cc(C(=O)OC)ccc1C(C)(C)Oc1c-2c(OC)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.365
CB1 binding score: -14.592
InChIKey:OXAGLNLGXXOKIS-UHFFFAOYSA-N
ID: 82126
SMILES:COc1ccc2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.687
InChIKey:UHTAHYZTMUZEEI-UHFFFAOYSA-N
ID: 82127
SMILES:CCOc1cc2c3c(cc(CCCCC)c2)OCC(C)(C2=CCC(C)C12)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -14.558
InChIKey:PUBGTEMVDUAHDN-UHFFFAOYSA-N
ID: 82128
SMILES:c1c(C)c2c(cc1)C(C)(C)Oc1c2cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -16.024
InChIKey:TXWRPIDEYWVUJZ-UHFFFAOYSA-N
ID: 82129
SMILES:C1CCC(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -18.844
InChIKey:PWPQLXXOFXROSJ-UHFFFAOYSA-N
ID: 82130
SMILES:c1(C)c2c(cc(C)c1)OC(C)(C)C1C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 202.297
CB1 binding score: -13.462
InChIKey:KGQMQQOVVJCBRQ-UHFFFAOYSA-N
ID: 82131
SMILES:Oc1c(CCCC)cc(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.438
InChIKey:PELCUSKWAXVVHJ-UHFFFAOYSA-N