ID: 37045
SMILES:CC1=CC2C(C(C)(C)Oc3c(O)c(C(CC)C(C(CC)C)OC(=O)C)c(C=O)c(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -15.929
InChIKey:ZCZHXKCNOLPEFJ-UHFFFAOYSA-N
ID: 37046
SMILES:c1(CCCOC)cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.427
InChIKey:YFLJNMMQADIYSQ-UHFFFAOYSA-N
ID: 37047
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.035
InChIKey:KEAXRVVDSBXMMT-UHFFFAOYSA-N
ID: 37048
SMILES:c1(C)c(O)c(O)c2c(c1CCC(C)=C)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.786
InChIKey:KDKREHIHFXOHMT-UHFFFAOYSA-N
ID: 37049
SMILES:c1(C)c(-c2c(CCCCC)cccc2)c(CCC(=O)C(C)C(C)O)cc2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.766
CB1 binding score: -14.787
InChIKey:XNUGJFGJKGBJQC-UHFFFAOYSA-N
ID: 37050
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C=C(C=O)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.606
InChIKey:VJLYYZLCBPYVHN-UHFFFAOYSA-N
ID: 37051
SMILES:C1CC(C)=CC2c3c(cc(C=Cc4c(C(CC(C)C)=O)c(O)cc(CCCCC)c4)O3)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.684
CB1 binding score: -12.153
InChIKey:OHFGBZJJMAAGGU-UHFFFAOYSA-N
ID: 37052
SMILES:C1C23C(OC2C(C)=C)c2c(O)cc(C)cc2OC13
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.29
CB1 binding score: -13.751
InChIKey:UKTPIWBDCMDAIC-UHFFFAOYSA-N
ID: 37053
SMILES:C1=C(C)C(=O)OC(CC)(C)C(O)CC(C(C)CCCC(C)CC)CC=C(C)C1C(OCc1cc(O)c(O)cc1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 558.756
CB1 binding score: -15.145
InChIKey:MXJXXDBHFVTREC-UHFFFAOYSA-N
ID: 37054
SMILES:C(CC=C(CC(O)C1OC1(C)C)C)C(=CCc1cc(OC)cc(C)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.85
InChIKey:MHKOEMJZMYRMMZ-UHFFFAOYSA-N
ID: 37055
SMILES:C12C3(CO1)c1c(cc(C)cc1O)OC(C)(C)C3CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.282
InChIKey:UTKSBKNEBFGDCH-UHFFFAOYSA-N
ID: 37056
SMILES:C1CC2(C)Oc3c(C(O)=O)c(CCCC)cc(O)c3C3C2C(C)(C)C1O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -14.158
InChIKey:DSPQLHPVFZRXKX-UHFFFAOYSA-N
ID: 37057
SMILES:C(O)(=O)c1c2c(c(O)c(C)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -15.414
InChIKey:ZAZGRVYYANICRU-UHFFFAOYSA-N
ID: 37058
SMILES:CC(C1=C(C(C)(C)C)CCC2(C)OC21CCC(=CCc1c(O)c(C)cc(OC)c1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -11.562
InChIKey:DWQKWPDDXLIFSW-UHFFFAOYSA-N
ID: 37059
SMILES:Oc1cc(C)cc2c1C1C(C(C)(C)O2)CC(=O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.278
CB1 binding score: -16.306
InChIKey:AXMOYNYRHDZCSN-UHFFFAOYSA-N
ID: 37060
SMILES:c1(C=CCOc2cc(C=O)ccc2)c(C(C=C)C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.598
CB1 binding score: -15.397
InChIKey:ZHKGAAXUMBDJKN-UHFFFAOYSA-N
ID: 37061
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 37062
SMILES:C1CC2C(C(O)CCC2(C)C)C2OC13C(C)(C=C2CO)Oc1c(c(O)cc(CCCCC)c1)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: -15.829
InChIKey:NZQLYMSVFSRQIH-UHFFFAOYSA-N
ID: 37063
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCc4ccccc4)c(O)c(C(C(CC)C)=O)c3OC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.603
CB1 binding score: -13.921
InChIKey:QTCZRKUWKPBWDQ-UHFFFAOYSA-N
ID: 37064
SMILES:C(C1=CC=CCC(CC(C)=CCc2c(OC)c(C)cc(O)c2)(C)C(C)CCC1=C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -9.117
InChIKey:BLVQUONAMQPPQU-UHFFFAOYSA-N
ID: 37065
SMILES:C(CCC)c1c(C(O)=O)c(O)c(CC=C(CC(C=C(C)C)=O)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 360.45
CB1 binding score: -16.38
InChIKey:RAOPJORVBMEEBE-UHFFFAOYSA-N