ID: 47125
SMILES:CC(OCC(C)(C)c1c(O)c2c(c(O)c1OC1CC(C)(O)CCC1C(C)=C)OC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 542.713
CB1 binding score: -14.221
InChIKey:QSDWJVPQAHJHDR-UHFFFAOYSA-N
ID: 47126
SMILES:C1C23C(C(C(=O)OC)(C)CC1)C(c1c(cc(CCCCC)cc1O)O2)CC(C)=C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -13.472
InChIKey:LYQOCVPYBCZINJ-UHFFFAOYSA-N
ID: 47127
SMILES:C12C(C)(O1)CC=CC(C)(C)Oc1c2c(C)cc(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.933
InChIKey:PXANTMIWJVUISM-UHFFFAOYSA-N
ID: 47128
SMILES:C1(C=C(CO)C)Oc2c(c(O)cc(CCCCC)c2)C2C(CCC=C(C)C)(C)C(O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.929
InChIKey:MHVNRLLHRACDQH-UHFFFAOYSA-N
ID: 47129
SMILES:Oc1c(CC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 47130
SMILES:CCCCCc1cc2c(c(O)c1)C1C(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: 47131
SMILES:C1(c2c(O)cc(CCCCC)cc2O)CC(C)CCC1C(CO)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.5
CB1 binding score: -16.876
InChIKey:FSZCLUBDXQHNBD-UHFFFAOYSA-N
ID: 47132
SMILES:c1(CC=C(CC(=O)C=C(C)C)C)c(CCCCC)cc(O)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.929
InChIKey:PACJNPOZBIGPRO-UHFFFAOYSA-N
ID: 47133
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2OC=C(C)C3C(O3)CC(=C)C12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -17.81
InChIKey:DFWUKYYNYQWIRM-UHFFFAOYSA-N
ID: 47134
SMILES:C1C(C(=C)C)C(c2c(O)cc(O)c(C(CC(C)C)=O)c2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -19.167
InChIKey:CFZLDEROOCUHHL-UHFFFAOYSA-N
ID: 47135
SMILES:CC1=CCCC(=C)C2C(CC1)C(C)(C)Oc1c2c(OC)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.857
InChIKey:JXOMHAIRKKHXRT-UHFFFAOYSA-N
ID: 47136
SMILES:C1C(OC(=O)C)C2C(C)(C)Oc3c(cccc3)C2C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -15.62
InChIKey:YUFCOKSCWXIKQB-UHFFFAOYSA-N
ID: 47137
SMILES:BrC1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C(O)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 373.287
CB1 binding score: -12.602
InChIKey:LZNNPPCYZAIANH-UHFFFAOYSA-N
ID: 47138
SMILES:c12c(c(CCCCC)cc(O)c1CC=C(C)C)c(O)c(CC=C(C)C)c(OC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.894
InChIKey:GSVHPKAIAVJQPI-UHFFFAOYSA-N
ID: 47139
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(=O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 47140
SMILES:C(CCCC)Cc1cc(O)c(C2C(C(C)=C)CC=C(C)C2O)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.555
InChIKey:KEURZIALLSKCLE-UHFFFAOYSA-N
ID: 47141
SMILES:CC1(O)C2C(C=C(C)CC2)c2c(cc(CCCCC=O)cc2O)OC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.493
InChIKey:QBOATKXJARKDMO-UHFFFAOYSA-N
ID: 47142
SMILES:C1=C(C)CC=CC(C)(C)Oc2cc(O)cc(CCCCC)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.836
InChIKey:FAUAYRKGYTVKNI-UHFFFAOYSA-N
ID: 47143
SMILES:C1(Br)C2C(c3c(O)cc(CCC)cc3OC2(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 325.246
CB1 binding score: -13.07
InChIKey:BGNWQCTUXSSAJZ-UHFFFAOYSA-N
ID: 47144
SMILES:CC1C2(Oc3c(c(O)cc(CCCCC)c3)C2)C2C(C)(CCC1C(C)=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.06
InChIKey:GETLIVJJLJIYSN-UHFFFAOYSA-N
ID: 47145
SMILES:CC1(C)C2CCC3(C)Oc4cc(CCCCC)ccc4C3C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.094
InChIKey:DICQQXMXXQFBPH-UHFFFAOYSA-N