ID: 86059
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 86060
SMILES:C(C)(C)C1(O)CCC2(C)CC1c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.712
InChIKey:CQNNULQPTCZJME-UHFFFAOYSA-N
ID: 86061
SMILES:C(CC=C(C)C)C(CCCC(=CCc1c(O)cc(C)c(O)c1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.334
InChIKey:RUTPKBVACOSZDU-UHFFFAOYSA-N
ID: 86062
SMILES:C1=CC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.425
InChIKey:GMQLCXLOQQURAK-UHFFFAOYSA-N
ID: 86063
SMILES:C(Cc1c(CCCCC)cc(O)c2c1OC(C)(C)C1C2CC(C)(O)CC1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.478
InChIKey:ATIDSMAAPGPQEH-UHFFFAOYSA-N
ID: 86064
SMILES:O1c2cc(CC)cc(O)c2C(CC2C(C3(C)CCC(=O)C(C)(C)O3)=C(O)C(=O)C(C)=C2)(C)OC1C(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 528.642
CB1 binding score: -15.633
InChIKey:DNEHAYGIMMLOMH-UHFFFAOYSA-N
ID: 86065
SMILES:CC(C)c1c(O)c(Oc2cc(CC=C(C)CCC=C(C)C)c(O)cc2)c(O)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 530.749
CB1 binding score: -15.551
InChIKey:DSEVQPRXDYTQCY-UHFFFAOYSA-N
ID: 86066
SMILES:Oc1c(C(C(C)C(=C)C)OC)cc(O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.17
InChIKey:JNJSAZGQECMFQL-UHFFFAOYSA-N
ID: 86067
SMILES:CC(O)(C)C1CCC(C)C2C1c1c(O)cc(CCC)cc1OC2(CCC1C(C)(C)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -10.453
InChIKey:JWVFFCWICMIUIC-UHFFFAOYSA-N
ID: 86068
SMILES:Oc1c(C2CC(O)c3cc(O)c4c(c32)OC(C)(C)C2C4C=C(C)CC2)cc(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.494
CB1 binding score: -12.246
InChIKey:CBGLLCXITCOGSR-UHFFFAOYSA-N
ID: 86069
SMILES:c1(C)ccc2c(c1C(C=CC(C)(O)C)=O)OC(C)(C)C1C2C=C(C)C(OO)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -14.709
InChIKey:OBCFAJSIIGHKFP-UHFFFAOYSA-N
ID: 86070
SMILES:C1CC(C)CC=CC(C)(C)Oc2c1c(O)cc(CCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -15.731
InChIKey:PWETZYNOTQSIDX-UHFFFAOYSA-N
ID: 86071
SMILES:C1(C(=C)C)C(c2c(OC)ccc(CCN(C)C)c2)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 86072
SMILES:c1(C2C=C(C)CCC2C(=C)C)c(-c2cc(CC=C)ccc2O)c(OC)c2c(c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 540.744
CB1 binding score: -12.224
InChIKey:LADVEONSOGBZEB-UHFFFAOYSA-N
ID: 86073
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -19.278
InChIKey:LPBNLDPLKUJIEG-UHFFFAOYSA-N
ID: 86074
SMILES:C(Cc1cc(OC)c(O)c(C2C(C(C)C)CCC(C)=C2)c1)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.81
InChIKey:FXJOYTDTUARTGK-UHFFFAOYSA-N
ID: 86075
SMILES:Oc1cc(C)c(O)c(CC=C(C)CCC2C(C)(CCC=C(C)C)Oc3cc(CCCCC)c(C(=O)O)c(O)c32)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 550.736
CB1 binding score: -15.047
InChIKey:PGVQXOVUCMLLHV-UHFFFAOYSA-N
ID: 86076
SMILES:c1(CCCCC)cc(O)cc(Oc2c(CC=C(CCC=C(C)C)C)cc(O)c(CC=C(C)C)c2)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.701
CB1 binding score: -15.288
InChIKey:SEGYXXHZCLMFJT-UHFFFAOYSA-N
ID: 86077
SMILES:C1(C)CC2=C(OC1(COC)C)C=C(CC(C)=CCc1c(O)c(C)cc(OC)c1)OC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: -12.623
InChIKey:PSTNFMXDYJHRQJ-UHFFFAOYSA-N
ID: 86078
SMILES:C1(C(O)=O)=CC2C(C(=C)C)CC1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: Not available
InChIKey:BCEPLTMUQYPQSR-UHFFFAOYSA-N
ID: 86079
SMILES:c1(CCCCC)ccc(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N