ID: 112435
SMILES:C(C(O)c1c(O)cc(CCCCC)cc1O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -16.502
InChIKey:KBAMHYSORAXNPV-UHFFFAOYSA-N
ID: 112436
SMILES:C1(C)=CC2c3c(cc(CCC(=O)CO)cc3OC2(C)C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.297
InChIKey:LYBIAQCRGJHOSJ-UHFFFAOYSA-N
ID: 112437
SMILES:c1(C(=O)C)cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -18.068
InChIKey:CPZWKXRSBORARS-UHFFFAOYSA-N
ID: 112438
SMILES:O1c2c(c(O)cc(CCc3ccccc3)c2)C2C=C(C)CCC2C1CC1(C)C(=O)C=CC(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.625
CB1 binding score: -16.094
InChIKey:BGJZIZDOGCUVNX-UHFFFAOYSA-N
ID: 112439
SMILES:Oc1cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 112440
SMILES:C1C2(C)Oc3cc(CCCCC)cc(O)c3C2C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.819
InChIKey:KAMBAVCQZNPQOI-UHFFFAOYSA-N
ID: 112441
SMILES:C1(C(C)(O)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 112442
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 112443
SMILES:CC(C1CC(=O)C(C)=C1c1c(OC)cc(CCCCC)cc1OC)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.444
InChIKey:ZHLHHXDQTNKGCE-UHFFFAOYSA-N
ID: 112444
SMILES:C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 112445
SMILES:OCC(c1c(O)c2c(cc1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.824
InChIKey:VWUACTHSJXLNQD-UHFFFAOYSA-N
ID: 112446
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2=C3C1C(C)(C)C2CC1=C(C)CCC13
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.529
CB1 binding score: -16.936
InChIKey:VMLKNZGRITVVCH-UHFFFAOYSA-N
ID: 112447
SMILES:c12cc(CCCCC)cc(O)c1C1C=C(C)CCC1(C)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -16.505
InChIKey:UNSLHBFMNYAHMZ-UHFFFAOYSA-N
ID: 112448
SMILES:CC1(CCC=C(C)C)C(O)c2cc(C(O)=O)c(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -12.144
InChIKey:XTHPFHVBBFVTAT-UHFFFAOYSA-N
ID: 112449
SMILES:C12C(C)CC(O)C1C(C)(C)Oc1c2c(O)cc(CO)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -16.356
InChIKey:SWJNYZXRKFINEO-UHFFFAOYSA-N
ID: 112450
SMILES:C(CC1(C)C=Cc2cc(O)c(CC(CCC=C(C)C)=C)cc2O1)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.518
CB1 binding score: -15.635
InChIKey:LBNMPXUWAXIBJL-UHFFFAOYSA-N
ID: 112451
SMILES:Oc1c(C2C(C(C)(O)C)CCC(C)=C2)c(O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.223
InChIKey:MQAMDYVFQNGNDY-UHFFFAOYSA-N
ID: 112452
SMILES:CC(CCC=C(CCC=C(C)C(O)=O)C)=CCc1c(O)cc(CCCCC)cc1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -14.801
InChIKey:ZXMFRCHAJVKWFA-UHFFFAOYSA-N
ID: 112453
SMILES:CC1(C)Oc2cc(C)c(OC)cc2C2C=C(C)CCC12O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 288.387
CB1 binding score: -16.786
InChIKey:KQGOUYAURLXXLX-UHFFFAOYSA-N
ID: 112454
SMILES:Oc1c(C2C(C(C)COC(C)=O)CCC(C)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.091
InChIKey:NHGIBMPNPYZZPR-UHFFFAOYSA-N
ID: 112455
SMILES:C(CCC=C(C)C)(=CCc1c(OC)cc(CCCCC)cc1OC(C)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -17.603
InChIKey:YZKQMWSCGWMLJI-UHFFFAOYSA-N