ID: 85429
SMILES:Oc1cc(C(C(OC)=O)C(=O)O)cc(C2C=C(C)CCC2C(C)=C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -11.586
InChIKey:YLPKJLNORMASER-UHFFFAOYSA-N
ID: 85430
SMILES:Oc1c(CC=C(C)C)cc(O)cc1CC=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.748
InChIKey:VRXKPPYOGGSRFK-UHFFFAOYSA-N
ID: 85431
SMILES:c1(CCCCC)c(O)cc(O)c2c1OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.83
InChIKey:COAKPZCTWBXPLE-UHFFFAOYSA-N
ID: 85432
SMILES:CC1=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 85433
SMILES:C1C2C3C(C(C)=C1OC2=O)c1c(O)cc(CCCCC)cc1OC3(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -13.46
InChIKey:BUJHKRIWWNPGMC-UHFFFAOYSA-N
ID: 85434
SMILES:O1C(C)(c2c(O)cc(CCC(O)C(C)(C)O)cc2)CCC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.374
CB1 binding score: -12.622
InChIKey:BOZQDWGOWVBHOO-UHFFFAOYSA-N
ID: 85435
SMILES:C1C2(C)C(Cc3c(OC(C)=O)cc(CCCCC)cc3O2)CC2C(C)(CC=C2C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.652
CB1 binding score: -16.469
InChIKey:CLICLJKEYMXJBD-UHFFFAOYSA-N
ID: 85436
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C(O)C(C)(C)OC1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.39
CB1 binding score: -15.929
InChIKey:BVLUCFRCYBKNLG-UHFFFAOYSA-N
ID: 85437
SMILES:CCCCCc1cc2c(c(O)c1)C1(Oc3c(cc(O)c(C)c3O)C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -15.374
InChIKey:PGCNVMNDPGTQPS-UHFFFAOYSA-N
ID: 85438
SMILES:C(COc1c(=O)cc(C)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.547
InChIKey:RPAKYSBVIGUFBN-UHFFFAOYSA-N
ID: 85439
SMILES:C1(=O)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.597
InChIKey:LQROZGZXFUAWIS-UHFFFAOYSA-N
ID: 85440
SMILES:C(C)(=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)C=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.059
InChIKey:XBELCHSDOZFUER-UHFFFAOYSA-N
ID: 85441
SMILES:C1C(C)(C)CC=C(C)C1c1c2c(cc(O)c1)-c1c(cc(C)cc1O)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.512
CB1 binding score: -15.938
InChIKey:DVUVZQMQQZAQQS-UHFFFAOYSA-N
ID: 85442
SMILES:OCc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC(=O)C(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -12.225
InChIKey:UHSQYISHUJQWBZ-UHFFFAOYSA-N
ID: 85443
SMILES:c1(CCC)cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(O)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.378
InChIKey:BKPAXUHUNZGKDS-UHFFFAOYSA-N
ID: 85444
SMILES:C(C)(C12C(O)CC(C=O)=CC1c1c(O)cc(CCC)cc1O2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.707
InChIKey:VFKUKHQNDNBCFG-UHFFFAOYSA-N
ID: 85445
SMILES:Oc1c(C(C(C)CC)=O)c(O)c2c(c1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.454
InChIKey:WTWOYXCCUBVNQT-UHFFFAOYSA-N
ID: 85446
SMILES:c1(O)c2c(cc(CCCCC)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: 85447
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 85448
SMILES:O=C(c1c(CCCCC)cc2c(c1O)C1C(O)C(C)(O2)C(C(CCC)C)O1)C=C(C)CCC=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.704
CB1 binding score: -15.419
InChIKey:IXODDAGJYVEFCN-UHFFFAOYSA-N
ID: 85449
SMILES:C1=C(CO)CC2C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N