ID: 85555
SMILES:Oc1cc(CCCC)c(O)c2c1C1C(CC(O)C(C)(C)O2)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.503
InChIKey:NWZJIBNTTZXBLZ-UHFFFAOYSA-N
ID: 85556
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(COC(=O)C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -19.773
InChIKey:ILHSUWMZKIAMCQ-UHFFFAOYSA-N
ID: 85557
SMILES:Oc1cc(O)c(C(=O)CC(C)C)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.454
InChIKey:DRGZMEOMFRCYTD-UHFFFAOYSA-N
ID: 85558
SMILES:Oc1cc2c(c3c1cc(C)cc3O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.42
CB1 binding score: -14.958
InChIKey:GJICKWNNDHVMDN-UHFFFAOYSA-N
ID: 85559
SMILES:O=C(O)C(C)c1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -19.174
InChIKey:DDHZVXQNPXYZJU-UHFFFAOYSA-N
ID: 85560
SMILES:C1=CC(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -18.748
InChIKey:AIWWNGHRWHAXTF-UHFFFAOYSA-N
ID: 85561
SMILES:C(CCCCc1cc2c(c(O)c1)C1(O)C(C(C)(C)C(=O)C(C)(C)C1=O)O2)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -14.262
InChIKey:NWKMZJVQADUYMA-UHFFFAOYSA-N
ID: 85562
SMILES:C1(c2c(O)cc(CCCCC)cc2)OC(=O)C(CCC=C(C)C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.365
InChIKey:TVLUJXRPTYGDHM-UHFFFAOYSA-N
ID: 85563
SMILES:O(C1C(O)C(O)C(O)C(CO)O1)c1c(O)c2c(cc1C(=O)C)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.511
CB1 binding score: -9.4
InChIKey:RPOGUJNPYDBYGY-UHFFFAOYSA-N
ID: 85564
SMILES:CC1(C)Oc2cc(C)c(Br)cc2C2=C1C=C(C)C(O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 335.241
CB1 binding score: -16.693
InChIKey:LITQBLCLSGNKBP-UHFFFAOYSA-N
ID: 85565
SMILES:O1c2c(c(OC)cc(CCCCCCC)c2)C2C3C(C(C)C)CCC2(CCC3C)C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.685
CB1 binding score: -14.171
InChIKey:CPRIGOUMFRKOMF-UHFFFAOYSA-N
ID: 85566
SMILES:C=CCCCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.998
InChIKey:KHPJSCHUZCESPG-UHFFFAOYSA-N
ID: 85567
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C3C1C(C(C)C)CCC3(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -14.251
InChIKey:CXEPNCYZUQASHL-UHFFFAOYSA-N
ID: 85568
SMILES:C(C=C(C)C)CC(C)=CCCC(=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 85569
SMILES:C1(C)=CC(c2c(O)cc(CCCCCCC)cc2O)C2C(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -12.975
InChIKey:GFWYKHHKLMIZGK-UHFFFAOYSA-N
ID: 85570
SMILES:C1C(C)=CC2C(C(C)(C)Oc3c2c(OC)cc(O)c3C(OC)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -16.821
InChIKey:ZWSHDRYGDDSJQF-UHFFFAOYSA-N
ID: 85571
SMILES:CCCCCc1cc(O)c(C2C=C(C(=O)OC)CC(O)C2C(C)CCC)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -13.059
InChIKey:YFZTWSBPFLXTHK-UHFFFAOYSA-N
ID: 85572
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 85573
SMILES:c1(CCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)C(C)(C)C(O)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.991
InChIKey:VSNTXVOYGBZMTB-UHFFFAOYSA-N
ID: 85574
SMILES:C1CC2(C(C)C)Oc3c(c(OC)cc(CCC)c3)C2C1(C)OC(CCC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.924
InChIKey:ICUFMUZQTDKHOL-UHFFFAOYSA-N
ID: 85575
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -19.71
InChIKey:SFWRRSGOJSILSQ-UHFFFAOYSA-N