ID: 46054
SMILES:OCC1(C)C2=C(c3c(cc(CCCCC=C)c(C=O)c3O)O1)C(=O)CC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -15.453
InChIKey:VJHWGRZLHJCCQS-UHFFFAOYSA-N
ID: 46055
SMILES:C(CCCC)c1cc2c(c(O)c1)C1CC(C(=O)O)=CC(O)C1C(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -13.196
InChIKey:MKOFZVKFYMHLIV-UHFFFAOYSA-N
ID: 46056
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 46057
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(COC(=O)C)CCC1C(C)(C)O2)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -13.872
InChIKey:OJYKECBNHYNLMK-UHFFFAOYSA-N
ID: 46058
SMILES:O=Cc1ccc2c3c1OC(C)(C)C1C3C(C(C)(C)O2)C(O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -15.236
InChIKey:ZNOWERAMODEYGI-UHFFFAOYSA-N
ID: 46059
SMILES:CC12Oc3c(c(O)ccc3CCCCC)C1C1C(CC2)C(C)(C)C(=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.867
InChIKey:CRCNLYKGLUMEDV-UHFFFAOYSA-N
ID: 46060
SMILES:c1(CCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.482
InChIKey:LUVSRWROAAHJJR-UHFFFAOYSA-N
ID: 46061
SMILES:C1(C(CCC=C(C)C)C)c2c(c(O)cc(CCCCC)c2)CC(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -14.998
InChIKey:XCSGFBFUDHEQGR-UHFFFAOYSA-N
ID: 46062
SMILES:C1C2(C)C(C)(CC3=C(C)C(=O)C(O)=CC13C)Oc1cc(CCCCC)cc(O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 410.554
CB1 binding score: -13.73
InChIKey:SKZWATRHGOPUPM-UHFFFAOYSA-N
ID: 46063
SMILES:C1CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C2C(CC(O)(C)C2=O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.939
InChIKey:BAZMINFVLLQXQW-UHFFFAOYSA-N
ID: 46064
SMILES:C1C2(c3c(cc(CCCCC)cc3)OC2)OC(C)(C)C1CCC(C=C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -12.317
InChIKey:BWRUVPSJWWCDMQ-UHFFFAOYSA-N
ID: 46065
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(O)(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 46066
SMILES:CC1(C)Oc2ccc(CCCCC)cc2-c2c1ccc(C)c2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -13.532
InChIKey:JQEYEHMUDRMCKK-UHFFFAOYSA-N
ID: 46067
SMILES:C(Oc1c(CCCCC)c(O)cc2c1C1C(C(C)(C)O2)CC=C(C)C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.946
InChIKey:WQBOHVKQILJXHH-UHFFFAOYSA-N
ID: 46068
SMILES:C(c1cc(CCCCC)cc(O)c1)=CC(CCC=C(C)CC)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -15.519
InChIKey:NNZBOQITQRSMLA-UHFFFAOYSA-N
ID: 46069
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(CC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.323
CB1 binding score: -16.833
InChIKey:QHRQXPBRZWNXEH-UHFFFAOYSA-N
ID: 46070
SMILES:C(CCC)CCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.458
InChIKey:LZFSGTNLAZDDKK-UHFFFAOYSA-N
ID: 46071
SMILES:C1(C)(CCC=C(C)C)Oc2c(cc(CCCCC)cc2O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.392
InChIKey:RCCCKQKOMSTGQP-UHFFFAOYSA-N
ID: 46072
SMILES:C(C)(C)c1c(O)c(=O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.88
InChIKey:KYCBLDOYMJYHFA-UHFFFAOYSA-N
ID: 46073
SMILES:c12cc(CC(C)C)c(O)cc1C=CC(CCC=C(C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.503
InChIKey:KWOOKVBRZJRGHB-UHFFFAOYSA-N
ID: 46074
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)C2=C1C(=O)C(C)(O)CC2)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -16.813
InChIKey:WNLPIFWHRWGUKU-UHFFFAOYSA-N