ID: 83161
SMILES:CC1(C)C(O)C(O)CC2(C)c3c(c(C#C)c(CCCCC)cc3O)C(=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -16.906
InChIKey:RLPGUKSINXAPLO-UHFFFAOYSA-N
ID: 83162
SMILES:C1C=C(C)C2(C(C)(C)C1OC(=O)C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -11.807
InChIKey:DYZCHDJZTNNRGU-UHFFFAOYSA-N
ID: 83163
SMILES:CC(C)=CCCC(C)=CCOc1c2c(cc(CCCC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.68
CB1 binding score: -14.54
InChIKey:DHMLZPQNRSNNKQ-UHFFFAOYSA-N
ID: 83164
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C(O)C2C2(C)CCC3(C)C(C(C)C)C(=O)CC3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.705
CB1 binding score: -14.031
InChIKey:BEDINJBBOZYJFS-UHFFFAOYSA-N
ID: 83165
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 83166
SMILES:C(C)CCCc1cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.438
InChIKey:NKPBIUKTNLMNFS-UHFFFAOYSA-N
ID: 83167
SMILES:C(O)(=O)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C(O)CC(O)(C)C2OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -15.792
InChIKey:DGRWCIMZNOAUCF-UHFFFAOYSA-N
ID: 83168
SMILES:C12C(C)(Oc3c(c(OC(C)=O)cc(CCCCC)c3)C1)CCC(O)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.788
InChIKey:NPFMJXSGIQOICF-UHFFFAOYSA-N
ID: 83169
SMILES:Oc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1C1C=C(C)CCC1=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.356
InChIKey:YOTOPZUEXRSYPP-UHFFFAOYSA-N
ID: 83170
SMILES:c1(O)cc(CCCCC)c(C=O)cc1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -17.455
InChIKey:JFYDFINWRJCEIS-UHFFFAOYSA-N
ID: 83171
SMILES:C12=C(c3c(cc(CCCCC)cc3O)OC1(C)C)C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.753
InChIKey:OAHHZUDLEHBUGH-UHFFFAOYSA-N
ID: 83172
SMILES:c1(C)cc(Oc2c(O)c3c(cc2CCCCC)OC(C)(C)C2CCC(C)=CC23)c(O)c(C(OC(C(C)C)=O)C(C)=C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 576.774
CB1 binding score: -16.436
InChIKey:UQAQRWBQLIURFV-UHFFFAOYSA-N
ID: 83173
SMILES:C=C(C1CC(=O)C(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.334
InChIKey:LMTQDQLMOBKYNY-UHFFFAOYSA-N
ID: 83174
SMILES:C12(C)CC3c4c(O)cc(CCCCC)cc4OC1(C=CC(C(C)C)CC2)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.792
InChIKey:HPGYSHVDOHWMCY-UHFFFAOYSA-N
ID: 83175
SMILES:C(=C(C#CC=C(C)C)C)Cc1c(O)c(C(O)=O)c(CCCCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -14.778
InChIKey:FKECPGNWSFOQRX-UHFFFAOYSA-N
ID: 83176
SMILES:c1(C(C(C)C)C)c(O)cc(O)c2c1OC(C)(C)C1CCC(C)(O)C(=O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.423
InChIKey:PNDFECLIXKNMBX-UHFFFAOYSA-N
ID: 83177
SMILES:C1CC(C)=CC(c2c(O)cc(CCC)cc2O)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 83178
SMILES:C(CCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 83179
SMILES:C(C(C)C(OC(=O)C)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -12.258
InChIKey:PFDGXLHUSRQRMP-UHFFFAOYSA-N
ID: 83180
SMILES:C(c1cc(C2C=C(C)CCC2C(=C)C)c(O)c(C=O)c1O)(=O)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -15.081
InChIKey:PLNFBUONTJSZMQ-UHFFFAOYSA-N
ID: 83181
SMILES:c1c(CCCCC)cc2c3c1OC(C)(C)C1CCC(C)(CC13)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.9
InChIKey:IXJXRDCCQRZSDV-UHFFFAOYSA-N