ID: 97630
SMILES:O=C(Oc1c2c(cc(CCCC)c1O)OC(C)(C)C1=C2C(=C)C(C)CC1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -17.507
InChIKey:HQTAIOXNOLVLBM-UHFFFAOYSA-N
ID: 97631
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 97632
SMILES:C(C(C)=CC(OC(C)=O)CC(=CCc1c(O)c(C)cc(O)c1)C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.325
InChIKey:KDJQBLSXZJYVII-UHFFFAOYSA-N
ID: 97633
SMILES:Cc1c(O)c(CC=C(C)C(O)CC=C(C)C)c(O)c2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -13.39
InChIKey:FKGLFRQTEHPZDF-UHFFFAOYSA-N
ID: 97634
SMILES:C(=O)(C)Oc1c2c(cc(CCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.883
InChIKey:LYNQMKDHYAOJHU-UHFFFAOYSA-N
ID: 97635
SMILES:O=C(c1c2c(c(O)cc1C)C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.929
InChIKey:HYGYYNVOMNLYCR-UHFFFAOYSA-N
ID: 97636
SMILES:O=Cc1c2c(ccc1C)C(C)(C)Oc1cc(CCCCC)cc(O)c1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.457
CB1 binding score: -14.856
InChIKey:WRTDALHKOGQFNM-UHFFFAOYSA-N
ID: 97637
SMILES:C(CCCCc1cc2c(c(O)c1C=O)OC(C)(C)C1CC=C(C)CC21)CCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -15.552
InChIKey:GCMNXARLVUCOAE-UHFFFAOYSA-N
ID: 97638
SMILES:C1C(C(=C)C)C(c2c(O)c(C(O)=O)c(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.365
InChIKey:WVOLTBSCXRRQFR-UHFFFAOYSA-N
ID: 97639
SMILES:C(O)(=O)C1CC2c3c(cc(CCCCC)cc3OC1C)OC1(C)OC2C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -15.401
InChIKey:NVNMAKPOPFUQRW-UHFFFAOYSA-N
ID: 97640
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 97641
SMILES:O=C(c1c(O)c2c(cc1CCc1ccc(O)cc1)OC(C)(C)C1C2CC(C)=CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.522
CB1 binding score: -14.814
InChIKey:IZXYYPDMKPXEGA-UHFFFAOYSA-N
ID: 97642
SMILES:C1C2C(c3c(cc(CCCCCO)c(C(=O)CC(C)O)c3O)OC2(C)C)C=C(CCC=C(C)C)C1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.703
CB1 binding score: -18.924
InChIKey:WDDSTZGXWLWVBV-UHFFFAOYSA-N
ID: 97643
SMILES:O=C1CC=C(C)CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.534
InChIKey:XVVKBNFYDKFZGJ-UHFFFAOYSA-N
ID: 97644
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCCO)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.781
InChIKey:CTZSPTCATADZMP-UHFFFAOYSA-N
ID: 97645
SMILES:c12oc3c(c(CCCCC)cc(O)c3)c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -14.804
InChIKey:XKCFRAMRNXKWGA-UHFFFAOYSA-N
ID: 97646
SMILES:C(C)CCCCc1cc2c(c(O)c1)C1(O)C3(C(C(C)(O)CCC1CCC(C)C)C2)OC(C)(C)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.71
CB1 binding score: -15.929
InChIKey:RBPJLTMZRVDRCX-UHFFFAOYSA-N
ID: 97647
SMILES:c1(CCCCC)cc(O)c(C2CC(C)=CCC2C(C)(O)CCC=C(C)C(=O)OC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -14.23
InChIKey:PPQJVUYFWAIXSD-UHFFFAOYSA-N
ID: 97648
SMILES:C1C2C(C)(C)Oc3c(C)c(O)cc(C)c3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 218.296
CB1 binding score: -13.31
InChIKey:JMPCCRCGDZWWAG-UHFFFAOYSA-N
ID: 97649
SMILES:CCCCc1cc(O)c2c3c1C(=O)OC21C3C(C)=CCCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -16.454
InChIKey:PWHUCZKGRDFAKN-UHFFFAOYSA-N
ID: 97650
SMILES:C=C(C)C1CCC(C)=CC1c1c(O)c(CC=C(C)CCC=C(C)C)c(O)c(CC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.69
CB1 binding score: -16.966
InChIKey:VMOFKJMCMACBFR-UHFFFAOYSA-N