ID: 124048
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C1(C)C(=C)C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -14.654
InChIKey:YRYKZOMUHPKYAA-UHFFFAOYSA-N
ID: 124049
SMILES:C(CC)CCc1cc(O)cc2c1OC1(C)CCCC(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.84
InChIKey:KMKYUWAKSQLATG-UHFFFAOYSA-N
ID: 124050
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1)CCCCCCCCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.738
CB1 binding score: -12.73
InChIKey:OYUIMQOJYRLZGD-UHFFFAOYSA-N
ID: 124051
SMILES:OC12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CC=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.407
InChIKey:VGRSCQCCQRLAHM-UHFFFAOYSA-N
ID: 124052
SMILES:C(c1ccc2c(c1)OC(C)(C)C1=C2C(OC)(C(C)OC1)CCC1=CC(=O)OC1)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -16.454
InChIKey:MLQVDIOTBGUDSV-UHFFFAOYSA-N
ID: 124053
SMILES:C(C)(OCC1=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.506
InChIKey:ILJBZYIZTNTWIK-UHFFFAOYSA-N
ID: 124054
SMILES:C1(=C(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.089
InChIKey:MXHIJQHAYHJSTF-UHFFFAOYSA-N
ID: 124055
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2CO)CC2C(C)(OCC1C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.509
CB1 binding score: -14.776
InChIKey:GNHJDEAJWSPEME-UHFFFAOYSA-N
ID: 124056
SMILES:C(Cc1c(O)cc(CCCCC)cc1O)C(=C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -18.61
InChIKey:BUZQQTZQZUGXRM-UHFFFAOYSA-N
ID: 124057
SMILES:c1(O)c(C2C(C(=C)C)CCC(C)=C2)c(CCCCC)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 124058
SMILES:c1(Cl)c(O)c(C2C(C(=C)C)CCC(C)=C2)c(C)cc1OC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.843
CB1 binding score: -14.942
InChIKey:HOEMXMBXZBIZOY-UHFFFAOYSA-N
ID: 124059
SMILES:c1(OC)c(O)cc(C2C(C(=C)C)CCC(C)=C2)c(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -17.742
InChIKey:GBNCVURGFWWDAT-UHFFFAOYSA-N
ID: 124060
SMILES:c1(C2C=C(C)CCC2C(=C)C)c(O)cc(C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.801
InChIKey:MISWBPJELUDMFI-UHFFFAOYSA-N
ID: 124061
SMILES:Oc1c(C)n(O)c2c3c(c(O)c2c1CCCCC)C1C(C(C)(C)O3)CCCC1(C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 417.546
CB1 binding score: -13.484
InChIKey:GLLCBAFVSADLLQ-UHFFFAOYSA-N
ID: 124062
SMILES:c1(O)c(C)cc(O)cc1CC=C(CCCc1cc2c(o1)CC1C(C)(CCC(O)=O)C(C(C)=C)CCC1(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 536.709
CB1 binding score: -12.276
InChIKey:VGOMCSZUDGSEES-UHFFFAOYSA-N
ID: 124063
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 124064
SMILES:c1(C=CC(=O)C)ccc2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -16.87
InChIKey:MFHNKIKIJUJMQA-UHFFFAOYSA-N
ID: 124065
SMILES:CC1=CC2C(C(C)(C)Oc3cc(C)c(O)cc31)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.092
InChIKey:ZGJMYFKOEVYDHO-UHFFFAOYSA-N
ID: 124066
SMILES:C(CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.739
CB1 binding score: -17.863
InChIKey:ICOUGMLVQFHTNJ-UHFFFAOYSA-N
ID: 124067
SMILES:C(C)(C)=CCCC(C)=CCc1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 124068
SMILES:c1(O)c(OCC=C(CCC=C(C)C)C)c(OC(=O)C)cc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -17.126
InChIKey:QTKZIIITJIIOND-UHFFFAOYSA-N