ID: 99100
SMILES:c1(C(OC(=O)C(C(CC)C)O)(C)O)cc(O)c(CC=C(CCC=C(C)COC(C)=O)C)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.582
CB1 binding score: -12.582
InChIKey:SAMLBTYTHJLUOI-UHFFFAOYSA-N
ID: 99101
SMILES:C1(C)(CCC(O)(C(O)(C)C)O)C=Cc2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -14.605
InChIKey:BAYOSRSGIQUORG-UHFFFAOYSA-N
ID: 99102
SMILES:C1(C=C(C)CCC=C(C)C)Oc2c(c(O)c(C(OC)=O)c(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.687
InChIKey:LYXQLKSTVCISCJ-UHFFFAOYSA-N
ID: 99103
SMILES:CC(C)=CCC1Oc2c(c(O)cc(CCCCC)c2)C2CC(O)C=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -12.966
InChIKey:FJZRRDKHRLKZLW-UHFFFAOYSA-N
ID: 99104
SMILES:c1(O)c2c(cc(CCCCC)c1)OC1(C)C3CC(CC1C(C)(C)O3)C2(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -13.153
InChIKey:ITEWVWIXFNMQLN-UHFFFAOYSA-N
ID: 99105
SMILES:C12(C)CC3c4c(O)cc(C)cc4OC(C)(C)C(CC1)C23
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -13.085
InChIKey:IRIQHULFJIYJRO-UHFFFAOYSA-N
ID: 99106
SMILES:O1C2=CCC1C(C)(C)Oc1cc(CCCCC)ccc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -9.018
InChIKey:ZKMRWRFDUOSHQW-UHFFFAOYSA-N
ID: 99107
SMILES:CC(O)CCc1cc2c(c(O)c1)C1C=C(C(=O)O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -16.015
InChIKey:VEQDULLKWAQMOO-UHFFFAOYSA-N
ID: 99108
SMILES:C(CC(=O)c1cc(O)cc2c1OC(C)(C)C1C2CC(C)=CCC1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -14.605
InChIKey:VRMYEDIXBQXSCR-UHFFFAOYSA-N
ID: 99109
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 99110
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC12O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.007
InChIKey:FXSXHYVMKQBBKA-UHFFFAOYSA-N
ID: 99111
SMILES:C(c1c(CCC)cc2c(c1)OC(C)(C)C1C2C=C(C(=O)O)CC1)C(C(C)(O)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -15.367
InChIKey:KEKDCEAREGHLCR-UHFFFAOYSA-N
ID: 99112
SMILES:C1C(C)=CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 99113
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2(OC(=O)C(C)C2)CCC(C)=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.334
InChIKey:XTUZNKILLFEMBW-UHFFFAOYSA-N
ID: 99114
SMILES:C12C=C(C)CCC1C(C)(C)Oc1cc(O)cc(C(O)=O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -18.06
InChIKey:CUDCTWWRLSYCMW-UHFFFAOYSA-N
ID: 99115
SMILES:CCCCCc1cc(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: 99116
SMILES:c1c(CCCCC)cc(O)c2c1OC1C3C(C)(C2CC(=O)C3C)CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.929
InChIKey:VXJRAEBDUMSSLQ-UHFFFAOYSA-N
ID: 99117
SMILES:c1cc(CCCC)cc2c1OC(C)(C)C1=C2C(=O)C(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -16.205
InChIKey:CQIVGDLIMOOODY-UHFFFAOYSA-N
ID: 99118
SMILES:C(CCCCC)Cc1cc2c(c(OC)c1)C1C(=O)C3C(C)(CC(C=C(C)C)O3)CCC=C(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.69
CB1 binding score: -15.733
InChIKey:INHYRCQYRFRWRL-UHFFFAOYSA-N
ID: 99119
SMILES:CC1=CC2c3c(c(OC(C)=O)cc(CCC)c3)C(C)(O1)CCC2C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -14.555
InChIKey:BFYAEGOWSDGYCQ-UHFFFAOYSA-N
ID: 99120
SMILES:C1(CO)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N