ID: 40888
SMILES:c1c(CCC(O)C=C(c2c(C(=O)O)c(O)c(C3C(C(C)=C)CC(O)C(C)=C3)c(O)c2)C=C(C)CCC=C(C)C)ccc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 602.768
CB1 binding score: -13.951
InChIKey:OEXWXLNRVQVSBH-UHFFFAOYSA-N
ID: 40889
SMILES:CC(C(O)c1c(O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.046
InChIKey:DWSRWEDSDQLKKL-UHFFFAOYSA-N
ID: 40890
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3OC(C)(C)C4CCC(C)(CC12)C34
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -14.27
InChIKey:QDOYGYHTMZQZRC-UHFFFAOYSA-N
ID: 40891
SMILES:C1C(C(C)C)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -16.377
InChIKey:MFQYBQUFPUMFJI-UHFFFAOYSA-N
ID: 40892
SMILES:C1(C=O)=CC2C(C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.431
InChIKey:JZAHNFGELLFCLC-UHFFFAOYSA-N
ID: 40893
SMILES:Oc1c(CCC(O)(C)C)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.589
InChIKey:YCRHSFYPVDSQQG-UHFFFAOYSA-N
ID: 40894
SMILES:C1(CCCO)Oc2c(c(O)cc(CCCCC)c2)C2C1(C)CCC(O)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.564
CB1 binding score: -14.594
InChIKey:VBHSJAMCXGLAHS-UHFFFAOYSA-N
ID: 40895
SMILES:C1(C)(C)C2CC=C(C)CC2c2c(cc(CCCCC)c(C(=O)O)c2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.507
InChIKey:YKKHSYLGQXKVMO-UHFFFAOYSA-N
ID: 40896
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.186
InChIKey:KQQMZTULVOWZJR-UHFFFAOYSA-N
ID: 40897
SMILES:C1C2(C(C)(C)Oc3c2c(O)cc(CCc2ccccc2)c3)OC(C)(C)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -15.433
InChIKey:HCNASRVMKKXYNC-UHFFFAOYSA-N
ID: 40898
SMILES:C(Cc1cc2c(c(O)c1)-c1c(ccc(C)c1)C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -19.327
InChIKey:GGVVJZIANMUEJO-UHFFFAOYSA-N
ID: 40899
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(O)cc(C)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 40900
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)(C)OC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.364
InChIKey:WMVGNJCRBSITQR-UHFFFAOYSA-N
ID: 40901
SMILES:Cc1c(-c2c(CO)ccc(C(C)C)c2)c2c(cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -16.007
InChIKey:ZHLPAWDTXKWUEF-UHFFFAOYSA-N
ID: 40902
SMILES:C1=C(CO)C(OC(=O)C)CC2C(C=C(C)CC1)c1c(O)cc(O)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -15.821
InChIKey:DVMBBFHGWYKPJT-UHFFFAOYSA-N
ID: 40903
SMILES:CC1(C)C2C(C(=CC)C)Oc3c(c(O)cc(CCCCCO)c3)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -11.849
InChIKey:ABEDGEODNXQHFR-UHFFFAOYSA-N
ID: 40904
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 40905
SMILES:O1C2(C)C3C1c1c(O)cc(CCCCC)cc1OC3(C)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.072
InChIKey:QSNYBPBJQMLXGL-UHFFFAOYSA-N
ID: 40906
SMILES:C(C)C(c1c(O)c(CC)c(O)c2c1OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -12.918
InChIKey:NZMKPLBQYGCJRG-UHFFFAOYSA-N
ID: 40907
SMILES:CC1(C)C2C(C)(CCC1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.783
InChIKey:KPTGTVLDBMVBEX-UHFFFAOYSA-N
ID: 40908
SMILES:C1CC2(C(C)C)Oc3c(c(CCCCC)cc(O)c3C2)C(O)C1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.903
InChIKey:MOJFHQMASLARCL-UHFFFAOYSA-N