ID: 133057
SMILES:O(c1cc(CCCCC)c(C(O)=O)cc1CC=C(C)CCC=C(C)C)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 386.532
CB1 binding score: -14.5
InChIKey:ILNDDQCUCVDVIK-UHFFFAOYSA-N
ID: 133058
SMILES:CC(C)C(C(c1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1O)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.086
InChIKey:HCWSLYODHKZRFV-UHFFFAOYSA-N
ID: 133059
SMILES:C1C2(C)Oc3c(c(O)cc(C)c3)C3C2C2(C)C(C(C(C)(O)C)CC2Br)C13
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 421.375
CB1 binding score: -16.146
InChIKey:DVSKMKAXSFYODW-UHFFFAOYSA-N
ID: 133060
SMILES:C(CCCc1c(O)c(CC=C(C)C)c(O)c2c1OC(C)(C)CC2=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.504
InChIKey:NLIMMVALZCPPAS-UHFFFAOYSA-N
ID: 133061
SMILES:CC(CC=CC(C)(C)O)=CCCC(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -18.334
InChIKey:OFNNHOZSUOMEDL-UHFFFAOYSA-N
ID: 133062
SMILES:CCCc1c2c(cc(CCCCCC)c1)OC(C)(C)C1C(CC(=O)C)C(C)(CC2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -13.805
InChIKey:YWEVVCCVEWXEBO-UHFFFAOYSA-N
ID: 133063
SMILES:C(CCCC=O)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.365
InChIKey:LRDIYLUSUDSWOO-UHFFFAOYSA-N
ID: 133064
SMILES:c1c(CCCCC)cc2c(c1O)OC1(C)CCC(C(=C)C)C2C1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.272
InChIKey:IEMVVIJJAAYWDY-UHFFFAOYSA-N
ID: 133065
SMILES:C(=CCc1c(O)c2c(cc1OC)OC(C)(C)C1CCC(C)=CC12)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.429
InChIKey:XNWXIIJFFBBCPC-UHFFFAOYSA-N
ID: 133066
SMILES:C(Cc1c(COC)cc2c(c1OC)CC1C(C(=C)CO)CCC1(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.904
InChIKey:DNUDLYQFTYKCSB-UHFFFAOYSA-N
ID: 133067
SMILES:C1C(C)(C)Oc2cc(CCCCC)cc(O)c2C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.915
InChIKey:QGXPGVCOVFFYDF-UHFFFAOYSA-N
ID: 133068
SMILES:c1(=O)c(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.671
InChIKey:KVWONNJJHVJIBL-UHFFFAOYSA-N
ID: 133069
SMILES:Oc1c(C(CC(C)C)=O)c(C2C=C(C)CCC2C(C)C)cc(CC=C(CCC=C(C)C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.706
CB1 binding score: -14.08
InChIKey:CMEGSWUDPTUBAY-UHFFFAOYSA-N
ID: 133070
SMILES:CC1(C=C)CCC(C(C)C)C(c2cc(O)c(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.832
InChIKey:XCJHJWUFMQUMKW-UHFFFAOYSA-N
ID: 133071
SMILES:c1(O)cc(C2CC3(C)Oc4cc(CCCCC)cc(O)c4C3C=C(CCC=C([CH])C)C(=O)O2)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.623
CB1 binding score: -15.288
InChIKey:AMRDGHMKFMLHBM-UHFFFAOYSA-N
ID: 133072
SMILES:C1(C)=CC(c2c(C)cc(O)cc2O)C(C(=C)CCC=C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.033
InChIKey:WDUPRFVRSXAKEK-UHFFFAOYSA-N
ID: 133073
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -17.842
InChIKey:UEBHUEXCBBRFFS-UHFFFAOYSA-N
ID: 133074
SMILES:O(c1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1C1(C)C2C(C=C(C)CC2)C=C(C)C(=O)O1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.63
CB1 binding score: -13.338
InChIKey:QFINSNSUYWDTME-UHFFFAOYSA-N
ID: 133075
SMILES:c1(OC)cc2c(cc1)OC(C)(C)C1CC=C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.764
InChIKey:NRRZXOLZVDIGDT-UHFFFAOYSA-N
ID: 133076
SMILES:c1(CCCC)c(O)cc2c(c1O)-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -13.44
InChIKey:CDBUOGFJCOBPPN-UHFFFAOYSA-N
ID: 133077
SMILES:CC1(CCC=C(C)C)C=Cc2c(O)cc(CCC)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N