ID: 80893
SMILES:Oc1cc(CCC)cc2c1C1C(C(CO)OCC1=CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.037
InChIKey:BJLLXXGJWHPOON-UHFFFAOYSA-N
ID: 80894
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 80895
SMILES:Oc1c2c(cc(C(O)=CCCCCC)c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.691
InChIKey:JPNHPFQCJMWAMN-UHFFFAOYSA-N
ID: 80896
SMILES:C(CC(OOC=C1C2C(C(C)(C)Oc3cc(CCCCC)c(C(OC)=O)c(O)c32)CC1C)=O)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.675
CB1 binding score: -16.422
InChIKey:SAVBQJIMXRATEQ-UHFFFAOYSA-N
ID: 80897
SMILES:C12(C)OC1C(=O)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -15.41
InChIKey:GZBJHQNIVOXJKV-UHFFFAOYSA-N
ID: 80898
SMILES:C(C)(C)(O)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.222
InChIKey:GOSYEBAQLUQOJA-UHFFFAOYSA-N
ID: 80899
SMILES:C(C(=O)C=C(C)C)C(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 374.477
CB1 binding score: -17.854
InChIKey:QZSBEPASIIIAGQ-UHFFFAOYSA-N
ID: 80900
SMILES:C1(C)(C)Oc2c(cc(O)cc2CCC)CC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -12.184
InChIKey:KJTIKTDWKRQOOI-UHFFFAOYSA-N
ID: 80901
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)=C1O)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: Not available
InChIKey:JPLJGPSSHSLNEE-UHFFFAOYSA-N
ID: 80902
SMILES:CC1(C)C(CC2(C)Oc3c(c(OC)c(C(C)CC)cc3O)C=C2C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.118
InChIKey:IWXVCGMYIORLQE-UHFFFAOYSA-N
ID: 80903
SMILES:C(CCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.641
InChIKey:HCFUOHUHGKDZOL-UHFFFAOYSA-N
ID: 80904
SMILES:C(C=C(C)C)c1c(O)c(CCCCC)cc(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 248.366
CB1 binding score: -17.913
InChIKey:OZBDRWFBMCCJHI-UHFFFAOYSA-N
ID: 80905
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C(=O)O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 80906
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(C)(O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 80907
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.349
InChIKey:PVWKYDHSQZSCHQ-UHFFFAOYSA-N
ID: 80908
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2OC(C)=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -19.106
InChIKey:DEWSJDIJFWQLOA-UHFFFAOYSA-N
ID: 80909
SMILES:c1(CCCCCC)cc(OC)c2c(c1C)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -14.619
InChIKey:OSGZADRKFMMJAR-UHFFFAOYSA-N
ID: 80910
SMILES:c1(O)cc(CCCCC)c2c(O)c1C1CC(CO)=CCC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.516
InChIKey:QWWPHJAEQDVZGG-UHFFFAOYSA-N
ID: 80911
SMILES:C1(C)(C)C(OC(=O)C)C2(c3c(cc(CCCCC)cc3O)OC2)CC(=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -13.569
InChIKey:PNAVWIWVNFVDNM-UHFFFAOYSA-N
ID: 80912
SMILES:C(=O)(C)OCC1=CCCC2=CC3c4c(c(C)cc(O)c41)OC(C)(C)C2CC3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -16.69
InChIKey:MCBFSRPXWAIVBA-UHFFFAOYSA-N
ID: 80913
SMILES:C12=CC(CCC(=C)CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.179
InChIKey:YDPGORKISRONPO-UHFFFAOYSA-N