ID: 42610
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 42611
SMILES:C(CC=C(C)C)C1(C)C=Cc2c(O)c(C(=O)O)cc(CCCCC)c2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.057
InChIKey:XTECEPJLXBGVGL-UHFFFAOYSA-N
ID: 42612
SMILES:C1C2(C)Oc3c(c(OC(C)=O)cc(CCCCC)c3)C3OC(C)(C)C3C2C(OC(C)=O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -15.396
InChIKey:JMESLWMFAXEAQY-UHFFFAOYSA-N
ID: 42613
SMILES:CC(=C(Cc1c(O)cc(CCCCC)cc1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 246.394
CB1 binding score: -11.814
InChIKey:URAGEVXUEPJZGO-UHFFFAOYSA-N
ID: 42614
SMILES:O(C(C1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1)=O)CCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.184
InChIKey:JRLWFHVOMSATIN-UHFFFAOYSA-N
ID: 42615
SMILES:Cc1cc(O)c2c(c1)OC(CCC1C(C)(C)O1)(C)C(Cl)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.821
CB1 binding score: -15.481
InChIKey:DXCJUBIJTJMNLR-UHFFFAOYSA-N
ID: 42616
SMILES:CC(C)=CCCC(=CC(CCC)C)C1CCC(C)=CC1c1c([N+]([O-])=O)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 395.587
CB1 binding score: -15.859
InChIKey:CKRQWJUUDOAJBG-UHFFFAOYSA-N
ID: 42617
SMILES:C1(C(C)C)CCC(C)=CC1c1c(O)cc(CCCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.781
InChIKey:CTZSPTCATADZMP-UHFFFAOYSA-N
ID: 42618
SMILES:C1=CC(O)C(C)C2C1(C)CC(=O)c1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.116
InChIKey:RDLBTADDFXQFDW-UHFFFAOYSA-N
ID: 42619
SMILES:C(CCc1cc(OC)c2c(c1)OC(C)(C)C2=O)C=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.477
InChIKey:DDDODRMOLDVYDN-UHFFFAOYSA-N
ID: 42620
SMILES:c1(O)c(C(C)C(C(C)C)C)cc(OC2OC(CO)C(O)C(O)C2O)c(C2CCC(C(=O)O)Cc3c(O)cc(CCCCC)cc3O2)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 676.8
CB1 binding score: -13.902
InChIKey:VOJNDKMVWGIGLZ-UHFFFAOYSA-N
ID: 42621
SMILES:C1CC(C)=CC2C(C3(CC(C(=C)C)C(C)(C)C4C(C3)O4)C1)Oc1c(CCCCC)c(O)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.689
CB1 binding score: -12.511
InChIKey:BXFVIQBEKJLZMW-UHFFFAOYSA-N
ID: 42622
SMILES:CC(=CCOC(c1c(CCCCC)ccc2c1C1C(C(C)(C)O2)CCC(C)C1)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.929
InChIKey:KUOIZQJVTUGNLE-UHFFFAOYSA-N
ID: 42623
SMILES:CC(=CCc1cc(O)c(C)cc1O)CCC=C(CC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.545
InChIKey:ZEZZPXAGNBATNY-UHFFFAOYSA-N
ID: 42624
SMILES:c1(O)c(CC=C(C)CCC=C(C)C)c(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -15.966
InChIKey:OHNGFVPDVQASAD-UHFFFAOYSA-N
ID: 42625
SMILES:O=C(C(C)=CC)OC1c2c(cc(CCCCC)cc2O)OC(C)(CCC=C(C=O)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -14.056
InChIKey:WVSVYIQKSXUGKN-UHFFFAOYSA-N
ID: 42626
SMILES:c12c(ccc(C)c1)C(C)(C)Oc1c(c(O)cc(CCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -17.388
InChIKey:XDXSRYICLMTJAL-UHFFFAOYSA-N
ID: 42627
SMILES:C(C)(C=CCC(C)=CCc1c(O)c(C)cc(O)c1)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.746
InChIKey:SAVHMKMRPFLBRI-UHFFFAOYSA-N
ID: 42628
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.423
InChIKey:MRLLOLSGDYQJHB-UHFFFAOYSA-N
ID: 42629
SMILES:c1(CCCC(CC(O)=O)C)cc(O)c(C2CC(C)=CC(C)(C)C(C)C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: Not available
InChIKey:RRRSDSQNZQOXBX-UHFFFAOYSA-N
ID: 42630
SMILES:C1C(=C(C)CO)C(c2c(O)c(C(=O)O)cc(CCCCCC)c2)C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.467
InChIKey:KMBIKORELZDVBG-UHFFFAOYSA-N