ID: 100990
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -19.22
InChIKey:AHKIGVNVQSVNEP-UHFFFAOYSA-N
ID: 100991
SMILES:C12(C)Oc3c4c(c(C(=O)C=C(CCCC(O)C)C)cc(O)c4)ccc3OC(C)(C)C1CCC2CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.617
CB1 binding score: -15.058
InChIKey:UMMMIAAOXCUUIH-UHFFFAOYSA-N
ID: 100992
SMILES:c1(CCCCC)cc(O)cc2c1C1CC(=C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.449
InChIKey:BWUHERQXVMVKDE-UHFFFAOYSA-N
ID: 100993
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(C#CC(=C)C)CCC1C(C)(O)C1C(C2)C(C)(C)CCC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.729
CB1 binding score: -16.038
InChIKey:OFHMGNNYKKQBGH-UHFFFAOYSA-N
ID: 100994
SMILES:C1(C)(C)C2CC=C(C)CC2c2c(O)cc(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 100995
SMILES:Brc1c(CCC(=O)C)cc(O)c(C2C=C(C)CCC2C(C)=C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 377.322
CB1 binding score: -14.406
InChIKey:UYVJIMCKYUIMKA-UHFFFAOYSA-N
ID: 100996
SMILES:C(C)(C)=CCc1c(C)c2c(c(O)c1C=O)-c1c(O)c(O)c(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.564
CB1 binding score: Not available
InChIKey:GIMXDNPFGSUKTA-UHFFFAOYSA-N
ID: 100997
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C=C1C(C)(C)OC(=O)C2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -15.854
InChIKey:XAIPGVTYWLFGTH-UHFFFAOYSA-N
ID: 100998
SMILES:c12cc(CCCCCC)cc(OC(C)=O)c1OC1(O2)C2=C(C(C)(C)CCC2)CCC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.866
InChIKey:CHOBQOJAIRABBJ-UHFFFAOYSA-N
ID: 100999
SMILES:CC(=O)Oc1cc(CCCCC)cc(O)c1C1C(C(C)=C)C(c2c(CCN)cccc2)CC(C)(O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 493.688
CB1 binding score: -15.287
InChIKey:GCOQQDJBFYJUCC-UHFFFAOYSA-N
ID: 101000
SMILES:C1(=O)C=C(C)CC(c2c(O)cc(O)cc2CCCCC)C1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -12.913
InChIKey:XSYZELCDBRLCMR-UHFFFAOYSA-N
ID: 101001
SMILES:Oc1c(CC=C(C)CCC=C(C)C)c(C)c(C2C(C(=C)C)CCC(C)=C2)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -15.034
InChIKey:RWMMFTYNHXECFI-UHFFFAOYSA-N
ID: 101002
SMILES:C(C)(=CCc1c(O)cc(CCCCC)cc1OC)CCC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 398.631
CB1 binding score: -18.943
InChIKey:QOVOSRUONCHPIN-UHFFFAOYSA-N
ID: 101003
SMILES:C12(O)CCC(C)C=C1c1c(cc(CCCCC)cc1OC)OC(C)(C)C2CCC(C)(C=C)OO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.666
CB1 binding score: -14.484
InChIKey:VZWQDWFJMDPSOH-UHFFFAOYSA-N
ID: 101004
SMILES:C1(C)COc2c(c(CCCCC)cc(O)c2O)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.215
InChIKey:JSGPPBXIONVZAM-UHFFFAOYSA-N
ID: 101005
SMILES:C12=C(C(OC(C)=O)C(C)C=C1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -16.326
InChIKey:WBZJZSLHDWXCPQ-UHFFFAOYSA-N
ID: 101006
SMILES:c12c(ccc(OC)c1CCCCC)CC(C=C(C)C)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -13.299
InChIKey:JURXOEOLANUVNJ-UHFFFAOYSA-N
ID: 101007
SMILES:C12CC(C(=C)CO)CCC1(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.837
InChIKey:UWWITOQYQLOWIG-UHFFFAOYSA-N
ID: 101008
SMILES:C(C(C)CCCC(CCc1cc(OC)c(O)c(C2C=C(C)CCC2C(C)=C)c1O)=O)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -11.941
InChIKey:GGCABXHYRKLXIS-UHFFFAOYSA-N
ID: 101009
SMILES:c1c(CCCCC)cc(O)c2c1-c1c(ccc(CCCCC)c1)C1C=C(C)CCC1C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.703
CB1 binding score: -14.095
InChIKey:MRPZOEFQYRHTML-UHFFFAOYSA-N
ID: 101010
SMILES:c1c(O)cc(C)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.175
InChIKey:GJXWWWKLUZSVGM-UHFFFAOYSA-N