ID: 58108
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 58109
SMILES:O=C(CCC)CC1(C(c2ccc(O)c(OC)c2)O)C(=O)OC(C)(C)C(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.464
CB1 binding score: -13.438
InChIKey:VUGMAOVAPVZZCB-UHFFFAOYSA-N
ID: 58110
SMILES:C1(C)(C)CCCC2(C3(OC(=O)C(C)=C3)Oc3c(c(O)cc(CCC)c3)C12)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.28
InChIKey:VEQYGFOZYGISAR-UHFFFAOYSA-N
ID: 58111
SMILES:OC1C2C(C)(Oc3c(c(O)cc(CCCCCC)c3)C2)C2C(C)(CCC2C(CCC=C(C)COC(C)=O)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 540.785
CB1 binding score: -15.552
InChIKey:RBHHDCZGWQVXTQ-UHFFFAOYSA-N
ID: 58112
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2(O)CC(=C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.56
InChIKey:UQALAHMDMYSYFE-UHFFFAOYSA-N
ID: 58113
SMILES:C(C1=CCC2C(C)(C)Oc3c(c(OC)cc(CCCCC)c3)C2C1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.807
InChIKey:NQVOJJKFGBJWTL-UHFFFAOYSA-N
ID: 58114
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(C(O)(C)C)C(C2)C(O)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.801
InChIKey:ZKFFIZZNRZEXGC-UHFFFAOYSA-N
ID: 58115
SMILES:c12c(c(C=O)c(O)c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -19.102
InChIKey:QDSXNOZJONEBMJ-UHFFFAOYSA-N
ID: 58116
SMILES:C1(CO)(C)C2C(c3c(cc(CCCCC)cc3O)O1)C=C(C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -12.665
InChIKey:WYXCVYKIDPGLSR-UHFFFAOYSA-N
ID: 58117
SMILES:C1=C(C)COc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.323
CB1 binding score: -17.881
InChIKey:HZTBOQLZTCDDEK-UHFFFAOYSA-N
ID: 58118
SMILES:CN(CCS(=O)C=C(C)CCC=C(C)C)c1cc(CCCCC)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 391.621
CB1 binding score: -15.222
InChIKey:WYDDKXIVZIWXPP-UHFFFAOYSA-N
ID: 58119
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(c(O)cc(CCCCCO)c2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.754
InChIKey:ONFUWSOWTDQFRJ-UHFFFAOYSA-N
ID: 58120
SMILES:c1(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 58121
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1C3C(CCC3(O)C)C(C)(C)OC1(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -13.548
InChIKey:NDEADVORCRCVOX-UHFFFAOYSA-N
ID: 58122
SMILES:Cc1cc2c(c(O)c1)C(C)(O)C(OC)(O)C1C(C(CCC=C(C)C)C)(C2)Oc2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 552.752
CB1 binding score: -17.379
InChIKey:TWJXYDQQZNQACD-UHFFFAOYSA-N
ID: 58123
SMILES:OC(C)(C1(CCC(C)=CCOc2cc(CCCCC)cc(OC)c2)OC(C(O)(C)C)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.644
CB1 binding score: -13.333
InChIKey:XYAWCTJOAAMLAA-UHFFFAOYSA-N
ID: 58124
SMILES:c1c(CCCCC)cc2c(c1O)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: 58125
SMILES:C1C(Br)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 327.262
CB1 binding score: -18.565
InChIKey:QNWMKTBWRYYNDW-UHFFFAOYSA-N
ID: 58126
SMILES:c1c(CCCCC)cc2c(c1O)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: 58127
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 58128
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.334
InChIKey:GKTLMTLABYYGES-UHFFFAOYSA-N