ID: 109642
SMILES:c1(CCCCC)nc2c3c(ccc2cc1)C1C(C(C)(C)O3)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 349.518
CB1 binding score: -16.445
InChIKey:MZKGOUYGQGWMCG-UHFFFAOYSA-N
ID: 109643
SMILES:C1C2(CCC1C(=C)C)Oc1c(c(O)cc(CCCCC)c1)C1(O)C(=O)C(C(C)C)=CC21O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -14.56
InChIKey:MTVOJLLVSYKETB-UHFFFAOYSA-N
ID: 109644
SMILES:O=C(c1c(CCCCOC(=O)CCc2ccccc2)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.612
CB1 binding score: -14.923
InChIKey:JCKJPWNPYMOFRZ-UHFFFAOYSA-N
ID: 109645
SMILES:C1CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 109646
SMILES:C(CC1(C)C=Cc2c(O)cc(C)cc2O1)C=C(CCCC(=O)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.334
InChIKey:GNWWUDGGFCQATG-UHFFFAOYSA-N
ID: 109647
SMILES:Oc1c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 109648
SMILES:C12C(C)(C)Oc3c(O)cc(C)c(CCC(C)C)c3C1C(=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.383
InChIKey:DERVXSUKWAWUOY-UHFFFAOYSA-N
ID: 109649
SMILES:OCCc1cc(O)c2c(c1)OC(C)(C)C(=O)CCC(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -15.306
InChIKey:WAFIFAJRVKQOIA-UHFFFAOYSA-N
ID: 109650
SMILES:c12c(c(OC(C)=O)c(OC)c(C)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.664
InChIKey:WMGBGKWQCUAJNQ-UHFFFAOYSA-N
ID: 109651
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -18.93
InChIKey:KYZZGUCXNYLZKE-UHFFFAOYSA-N
ID: 109652
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(=C(C)C)CCC(C)(OO1)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.075
InChIKey:QLMNZZUDFAAFEZ-UHFFFAOYSA-N
ID: 109653
SMILES:CC1=CC2c3c(ccc(CCCCC)c3)OC(CCC2C(C)(C)OCC)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -14.342
InChIKey:VGUYGDOFQDXQAB-UHFFFAOYSA-N
ID: 109654
SMILES:c12c(O)c(C(=O)OC)cc(O)c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -16.194
InChIKey:VBICZRZQXLOTMB-UHFFFAOYSA-N
ID: 109655
SMILES:C1(C)CCCC(C)(C)C1Cc1c(OC)cc(CCCCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.528
CB1 binding score: -16.852
InChIKey:CUXOZKKKCQQNJO-UHFFFAOYSA-N
ID: 109656
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 109657
SMILES:Cc1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C(C(C)=CC)=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -16.444
InChIKey:GVBVKZFFXXKKKP-UHFFFAOYSA-N
ID: 109658
SMILES:C1C(C)C2C(OO)(c3c(O)cc(CCCCC)cc3O2)C(O)=C(C(CC(C)C)=O)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.513
CB1 binding score: -17.577
InChIKey:FXHBEBQDWNCPJR-UHFFFAOYSA-N
ID: 109659
SMILES:C(CCC=C(C)C1OC(=O)CCCC=C(C)C(=O)OC1)(=CCc1cc(OC)cc(C)c1OC)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.606
CB1 binding score: -13.332
InChIKey:NFGQSKKMNVFVTB-UHFFFAOYSA-N
ID: 109660
SMILES:C1(C)C(OP(O)(O)=O)CC2(C)Oc3cc(CCCCC)cc(O)c3C1C2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.49
CB1 binding score: -12.638
InChIKey:XCMZTYLDMRKCGA-UHFFFAOYSA-N
ID: 109661
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)=C)CCC1(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -17.596
InChIKey:RWFIRVYASWVANS-UHFFFAOYSA-N
ID: 109662
SMILES:C(Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1)C(C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.929
InChIKey:KBDQSINKFXRWBB-UHFFFAOYSA-N