ID: 54601
SMILES:c12cc(CCCCC)cc(O)c1OC1(C)CC2C(C(O)(CCC(O)C(=C)C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -10.813
InChIKey:PBRRKOAYQUDFEK-UHFFFAOYSA-N
ID: 54602
SMILES:C1(C)(CC(O)C2C(C)(C)O2)Oc2cc(C)c(OC)cc2C(C(C)CCCC)=C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -15.268
InChIKey:KLPMLLHFMUGTRK-UHFFFAOYSA-N
ID: 54603
SMILES:C1=C(C)CCC(C)(C)CC1c1c(O)cc(OC)cc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -13.077
InChIKey:BQQWPWMJLTVETJ-UHFFFAOYSA-N
ID: 54604
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CCCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.184
InChIKey:ZKGKOAJUWMGRFB-UHFFFAOYSA-N
ID: 54605
SMILES:C(C)CCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.675
InChIKey:WNFFADMPRQZHPI-UHFFFAOYSA-N
ID: 54606
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(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: 54607
SMILES:CC1=CC2C(c3c(O)cc(CCCC)cc3O2)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.002
InChIKey:GVZDPLCYSGUAQD-UHFFFAOYSA-N
ID: 54608
SMILES:C12C3C(CC)C([N+](=C)c4ccccc4)CCC3(C)CC1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.655
CB1 binding score: -11.999
InChIKey:CLAMDENFTSCINZ-UHFFFAOYSA-O
ID: 54609
SMILES:C(c1c(C)c(O)c(C)c2c1OC(C)(C)C1C2C(O)C(C)=CC1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Prenyl quinone meroterpenoids
MW: 330.468
CB1 binding score: -18.201
InChIKey:ZBZLHIAKJUYPMT-UHFFFAOYSA-N
ID: 54610
SMILES:c1(CC=C(C)CCC=C(C)C)cc(C2C(C(O)(C)C)CCC(C)=C2)c(O)c(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.018
InChIKey:IYZICVKYHOZQNV-UHFFFAOYSA-N
ID: 54611
SMILES:CC1(C)CCCC2C1c1c(cc(CCCCCO)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.578
InChIKey:JUYBHEYWUWYVKZ-UHFFFAOYSA-N
ID: 54612
SMILES:C1(O)CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.385
InChIKey:YYLPAYRRVSQJRR-UHFFFAOYSA-N
ID: 54613
SMILES:c1(C=O)cc(O)c(O)c2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -16.819
InChIKey:UQOPGAUGUGOTKT-UHFFFAOYSA-N
ID: 54614
SMILES:CCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 54615
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCCO)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.781
InChIKey:CTZSPTCATADZMP-UHFFFAOYSA-N
ID: 54616
SMILES:CC1(C)Oc2cc(CCCCC)c(C(=O)O)c(OC)c2C(CC(C)C)=C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -13.838
InChIKey:DWAFRVIAJLJKAA-UHFFFAOYSA-N
ID: 54617
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 54618
SMILES:O1C2(c3c(cc(CCCCC)cc3CC(C(C)C)O)OC2)CCC(C)=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.179
InChIKey:IFSPFCJTIZDQNV-UHFFFAOYSA-N
ID: 54619
SMILES:C1CC(C)C2=C(CC1)C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -12.662
InChIKey:GXRGZKVBARAIQC-UHFFFAOYSA-N
ID: 54620
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC(OC(=O)C)C(C)=CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.943
InChIKey:UONIRULUKZFDJP-UHFFFAOYSA-N
ID: 54621
SMILES:c12c(ccc(C)c1O)OC(C)(C)C1CCC(CO)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.519
InChIKey:VFIMKNHDVJBHFS-UHFFFAOYSA-N