ID: 84484
SMILES:O=C(Oc1c2c(c(O)c(CCC(C(CC=C(C)C)O)(C)O)c1)OC(C)(C)C1C2C=C(C)CC1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.703
CB1 binding score: -16.501
InChIKey:DGYKIBPHBGKYDU-UHFFFAOYSA-N
ID: 84485
SMILES:c1(C=CCO)c(C(C(C(C)CC)=O)C)c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -17.058
InChIKey:SIFYGRNDFZHYSJ-UHFFFAOYSA-N
ID: 84486
SMILES:C(CCCCc1ccc2c(c1)OC(C)(C)C1C2C=C(C)CC1)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.389
InChIKey:JJIKULXBSINJPX-UHFFFAOYSA-N
ID: 84487
SMILES:CCCCCc1c(O)cc2c(c1O)C13COC2(O)C(C2C1(C)CC(C(=C)C)CC2)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -14.368
InChIKey:YZDXPMLWVSHPGJ-UHFFFAOYSA-N
ID: 84488
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 84489
SMILES:C1(Cc2c(O)c(C(O)=O)c(CCCCC)cc2O)=C(C)CCCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.687
InChIKey:BJWCRDJCYAIXFD-UHFFFAOYSA-N
ID: 84490
SMILES:C(C(C(=O)O)C)c1cc2c(c(OC)c1)CC1C(C(C)(CCC=C(CO)C)O)CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.584
CB1 binding score: -15.111
InChIKey:NMKDAKITFWJBJN-UHFFFAOYSA-N
ID: 84491
SMILES:c1(O)c(C)c(=O)c(C(=O)CCC)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -14.605
InChIKey:WITLEJUPHQFVDT-UHFFFAOYSA-N
ID: 84492
SMILES:O(C(=O)C)CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -17.205
InChIKey:OCHIAXLVXWKVLD-UHFFFAOYSA-N
ID: 84493
SMILES:CC(=C)C1C(c2c(OC(=O)C)cc(CCCCC)cc2O)CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.763
InChIKey:BNSQKEFYPSSSRN-UHFFFAOYSA-N
ID: 84494
SMILES:C12(C)C3CC=C(CO)C3C(c3c(O)cc(CCC)cc3O1)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.471
InChIKey:HBASLHPLFVQEDN-UHFFFAOYSA-N
ID: 84495
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C(=O)C=CC(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -11.656
InChIKey:ZPXCZPOTSTWPIK-UHFFFAOYSA-N
ID: 84496
SMILES:C(=O)(Oc1c2c(c(CC(C)O)c3c1CC(C)C3=O)OC(C)(C)C1CC=C(C)CC21)c1ccccc1[N+](O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.602
CB1 binding score: -16.964
InChIKey:PGSFHCCLYWVOKV-UHFFFAOYSA-N
ID: 84497
SMILES:CC1=CC2C(CCC3(C)Oc4c(c(O)cc(CCCCCCC)c4)C3O)C(C)(OC2=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.651
CB1 binding score: -15.203
InChIKey:NKMKUMXIFQCVBY-UHFFFAOYSA-N
ID: 84498
SMILES:CC(C)C1CC(OC(C)=O)C(C)=CC1c1c(O)cc(CCCCC)cc1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -15.374
InChIKey:RLEDFIJZKWVWJV-UHFFFAOYSA-N
ID: 84499
SMILES:C(c1c(C(=O)O)cccc1)C=C1CC(C=C(CO)C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.548
CB1 binding score: -13.152
InChIKey:XXPBPOSDDHGZJD-UHFFFAOYSA-N
ID: 84500
SMILES:BrC1C(C)(C)C2(C(C)=CC1)C(CC(C)=CCc1c(O)c(C)cc(O)c1)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 421.375
CB1 binding score: -16.078
InChIKey:TXXWWPKLIHIAPM-UHFFFAOYSA-N
ID: 84501
SMILES:C(CC)(C)(c1c(O)cc(CC=C(C)CCC=C(C)C)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.967
InChIKey:WPOKWOQDARZHEG-UHFFFAOYSA-N
ID: 84502
SMILES:O(C)c1cc2c(cc1CCCCC)OC1(C)C(C2)C(C)(C)C=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.988
InChIKey:TVVOYHJSZNOIQF-UHFFFAOYSA-N
ID: 84503
SMILES:C(C)(=CC)COC(=O)c1ccc2c(c1)CC1C(C)(O2)OC(C)(C)C1CCC(O)(C=C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -15.29
InChIKey:WQBGTXUTGNWQIJ-UHFFFAOYSA-N
ID: 84504
SMILES:CC(=C)CCCc1cc2c(c(O)c1O)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.315
InChIKey:ICXKYFMSRDWPQV-UHFFFAOYSA-N