ID: 100654
SMILES:O=C(C)Oc1cc(CCCCC)cc(O)c1CC=C(C)CCC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -17.817
InChIKey:DOBIHFILNCXYQS-UHFFFAOYSA-N
ID: 100655
SMILES:O=c1c(CC=C(CCC=C(C)C=O)C)c(O)cc(CCCCC)c(C2(O)CCC(=CCc3cc(O)ccc3OC2)O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 576.73
CB1 binding score: -14.353
InChIKey:LJNAEQGXQIRIED-UHFFFAOYSA-N
ID: 100656
SMILES:CC1(C)C(C)(C(C(C(O)=C(C)C)=O)C)C(c2c(O)cc(CCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -15.713
InChIKey:RINLJJFUJVETJU-UHFFFAOYSA-N
ID: 100657
SMILES:O=C(C)Oc1cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -18.166
InChIKey:WPRGTCVOBXQUHO-UHFFFAOYSA-N
ID: 100658
SMILES:c1(O)c(CC=C(CCC=C(CCC=C(C)C)C)C)c(O)cc(CCc2ccc(OC)cc2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -17.255
InChIKey:YPINPZLDNYDUJE-UHFFFAOYSA-N
ID: 100659
SMILES:CC(=CC(=O)C1(O)C(=O)c2c(O)cc(CCCCC)cc2O1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.929
InChIKey:UCKWPZIQJYLROX-UHFFFAOYSA-N
ID: 100660
SMILES:c1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.767
InChIKey:FFUBTKRHDZNPRU-UHFFFAOYSA-N
ID: 100661
SMILES:c1(CCC(OCC)=O)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.502
InChIKey:CNILXYVFSJQQHB-UHFFFAOYSA-N
ID: 100662
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 100663
SMILES:C12CCC(CC(O)C=C(C)C)(C)C1(c1c(O)cc(CCCCC)cc1O)CCC(C)C2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -15.197
InChIKey:CTHLLAPZDPIEBV-UHFFFAOYSA-N
ID: 100664
SMILES:CC(=CCCC(=CCOc1cc(O)c(C(OC)=O)c(CCCCC)c1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -17.78
InChIKey:HSCRJPXLZVRAFE-UHFFFAOYSA-N
ID: 100665
SMILES:C(CCCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)cc1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.334
InChIKey:YYEWRZDOXZOGMO-UHFFFAOYSA-N
ID: 100666
SMILES:Oc1cc(CCC)cc2c1CC1CCC(C(C)(C)O)CC2(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.475
InChIKey:QFRLDBYIFONLFU-UHFFFAOYSA-N
ID: 100667
SMILES:CC1(O)CC2c3c(O)cc(CCC)cc3OC(C)(OCC1C)C2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.428
CB1 binding score: -15.929
InChIKey:BCQNERJYOSVWRX-UHFFFAOYSA-N
ID: 100668
SMILES:O1c2cc(CCCCC)cc(O)c2C2CC(C)=CCC12C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.127
InChIKey:MORVHFLQALCSJY-UHFFFAOYSA-N
ID: 100669
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC2C(C(OC)=O)=CC1)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -16.191
InChIKey:BCQRKUBAZGACQW-UHFFFAOYSA-N
ID: 100670
SMILES:C(C1C(O)CC2(C)Oc3c(c(O)c(C(OC(C)=O)C(O)C)c(C)c3)C2C1)(C(C)(O)C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.501
CB1 binding score: -13.082
InChIKey:IZPYMLIBZREMQL-UHFFFAOYSA-N
ID: 100671
SMILES:CC(C)=CCCC(C)C1CCC(C(O)=O)=CC1c1c(O)cc(CCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.397
InChIKey:PHGQGCUTFJUIJM-UHFFFAOYSA-N
ID: 100672
SMILES:C(c1cc(O)cc2c1CC(O)C(C)(C)O2)C=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.997
InChIKey:KLIUWHJHGJHENX-UHFFFAOYSA-N
ID: 100673
SMILES:O=C1C(C)(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.674
InChIKey:ZKVZWZSFGRYPSE-UHFFFAOYSA-N
ID: 100674
SMILES:C1(OC(=O)C)C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.015
InChIKey:KRMGHBIHTAJMCB-UHFFFAOYSA-N