ID: 67033
SMILES:C(CCc1cc(O)c2c(c1C(=O)O)OC(C)(C)C1CC(O)C(C)=CC12)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.399
InChIKey:HZSIMBCWLZRLOP-UHFFFAOYSA-N
ID: 67034
SMILES:C(CCCCC)Cc1cc2c(c(O)c1)C1C(O)(CC(C)C1=O)C(=O)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -14.206
InChIKey:OMAWPFPZVSREHD-UHFFFAOYSA-N
ID: 67035
SMILES:O(c1c(C(C(C)C)OC(=O)C)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.003
InChIKey:FOJAGRJUHRPONP-UHFFFAOYSA-N
ID: 67036
SMILES:C=C(C1CCC(C(=O)O)=CC1c1c(O)cc(CO)cc1OC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -16.695
InChIKey:VVWPDJMLGWBYKW-UHFFFAOYSA-N
ID: 67037
SMILES:C1=C(C)CC2(Oc3ccc(CCCCCCC)c(OC)c32)C(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.907
InChIKey:UFFXLMORSCEIRA-UHFFFAOYSA-N
ID: 67038
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 67039
SMILES:CC1CCCC(CCC=C(C)C)(C)Oc2c1c(O)cc(CCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -14.516
InChIKey:WWGCSZDVVRMMTE-UHFFFAOYSA-N
ID: 67040
SMILES:C1C2C(C(C)(C)Oc3c(C(=O)C(C)C)c(OC)ccc32)C2CC(C)=CCC2C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.848
InChIKey:ADGAJDRYOKZLMA-UHFFFAOYSA-N
ID: 67041
SMILES:O=C(OC)c1c2c(c(O)cc1CO)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -15.805
InChIKey:WUWFOASOIYCNML-UHFFFAOYSA-N
ID: 67042
SMILES:CCCC(=O)Oc1cc2c(c3c(cc(CCCCC)cc3O)OC(C)(C)C2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -15.961
InChIKey:YHECEFSPYSRZJY-UHFFFAOYSA-N
ID: 67043
SMILES:C(CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1C=O)(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -16.502
InChIKey:OKAIPIVSKIPOHH-UHFFFAOYSA-N
ID: 67044
SMILES:CC1C(O)Cc2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 250.338
CB1 binding score: -17.056
InChIKey:SOWCNXFDTAVXCE-UHFFFAOYSA-N
ID: 67045
SMILES:C1(CCC=C(C)C)(C)C=Cc2c(O)cc(CC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.588
InChIKey:JZEQHRTZXSCBRS-UHFFFAOYSA-N
ID: 67046
SMILES:C(C(=CCc1c(O)cc(CCCCCC)c(C(=O)OC)c1O)C)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -18.387
InChIKey:BNPZQKQNYWPHNN-UHFFFAOYSA-N
ID: 67047
SMILES:c12cc(CCCCC)cc(O)c1C1(C(=O)C(C)(C)OC1(C)C)C(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.738
InChIKey:SAAKOABTCBEIQA-UHFFFAOYSA-N
ID: 67048
SMILES:c12c(O)cc(CCCCC)cc1OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 67049
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 67050
SMILES:C(C)(COC(c1c(C(C(C)CC)=O)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -14.543
InChIKey:MWXFABRJHJMDDX-UHFFFAOYSA-N
ID: 67051
SMILES:C(C1(C)CCCC(=C)C1c1cc(CCN(C)C)ccc1OC)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 355.566
CB1 binding score: -12.153
InChIKey:LAYWPEZMTGIVER-UHFFFAOYSA-N
ID: 67052
SMILES:c1(CCCCC)cc2c(c(O)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.438
InChIKey:NKPBIUKTNLMNFS-UHFFFAOYSA-N
ID: 67053
SMILES:C12C(C)(CCC=C(C)C)Oc3c(c(O)cc(C)c3)C1CC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.309
InChIKey:UTHNJGKSJOWWNQ-UHFFFAOYSA-N