ID: 112099
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -18.93
InChIKey:KYZZGUCXNYLZKE-UHFFFAOYSA-N
ID: 112100
SMILES:C1CC2(OCC1C)c1c(O)cc(C)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -15.946
InChIKey:IDYSBJHXTGAUGE-UHFFFAOYSA-N
ID: 112101
SMILES:CC(C)=CCc1c(O)c(OC)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.854
InChIKey:LFPJAZNVOSYSTR-UHFFFAOYSA-N
ID: 112102
SMILES:C1(C)(C)Oc2c(c(O)cc(C(C)C(C)=CC)c2)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -15.388
InChIKey:DRQUSPLZHWIMIS-UHFFFAOYSA-N
ID: 112103
SMILES:c12c(cc(CCCCC)cc1O)-c1c(ccc(C)c1)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -16.484
InChIKey:KIBJSXDYSOPMQW-UHFFFAOYSA-N
ID: 112104
SMILES:C12CC(C)(C)CC3C(C)(C1=C(C)C(=O)C2)Oc1c(c(O)cc(CCCCC)c1)C3=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -15.245
InChIKey:VHCNFUZSYNOZNR-UHFFFAOYSA-N
ID: 112105
SMILES:C1CC(C(=C)C)C(c2c(O)cc(CCC)cc2O)C1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.851
InChIKey:RIAUCOYAMITEEV-UHFFFAOYSA-N
ID: 112106
SMILES:c1(O)c(C2C=C(C)CCC2C(C)=CC=CC(C)=C)c(O)c(C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.434
InChIKey:DXEMNAWRSQLLQC-UHFFFAOYSA-N
ID: 112107
SMILES:OC1C(CO)OC(c2c(O)cc(CCC)cc2O)C1(C=CC=C(C)C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -13.633
InChIKey:KVHCQLLTOYGBCV-UHFFFAOYSA-N
ID: 112108
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C(C(C)=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.855
InChIKey:KBTNQOVTNZTJGJ-UHFFFAOYSA-N
ID: 112109
SMILES:C(C)(CCCC1=CC(c2c(O)c(C)cc(O)c2)CCC1)CCC(O)C(C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.564
CB1 binding score: -14.899
InChIKey:GCERXKXYJJSPDD-UHFFFAOYSA-N
ID: 112110
SMILES:C1C2C(c3c(cc(CCCCC)cc3OC)OC(C(C)(O)C)C2)(C)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -16.965
InChIKey:RUKDAWIKEWCZKP-UHFFFAOYSA-N
ID: 112111
SMILES:CC(C1C2C(C)(Oc3c(c(O)cc(C(C)C(CC)OC(=O)C)c3)C2C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -16.317
InChIKey:CUEPSQLYQNGUHB-UHFFFAOYSA-N
ID: 112112
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(COC)C1C2OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -14.09
InChIKey:IZOHAENHLIGNGC-UHFFFAOYSA-N
ID: 112113
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.753
InChIKey:WALPCIHSPPJRDZ-UHFFFAOYSA-N
ID: 112114
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(=C)C1CCC(C)(O)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -13.534
InChIKey:MAIAGKVEYHHEDB-UHFFFAOYSA-N
ID: 112115
SMILES:c12c(cc(CCCCC)cc1O)CCC1C23OC(=O)C(C)(CCCCCC)C31
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.899
InChIKey:FQCCJGKFRKSTJV-UHFFFAOYSA-N
ID: 112116
SMILES:C1=CC2C(C(C)(C)Oc3c1c(O)cc(C)c3)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.318
CB1 binding score: -12.662
InChIKey:MXMCXBBPQPFFRY-UHFFFAOYSA-N
ID: 112117
SMILES:C1C(C)=C(c2cc(CCCCC)cc(O)c2)C(C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 286.459
CB1 binding score: -14.126
InChIKey:RPJRJDOZGADDIT-UHFFFAOYSA-N
ID: 112118
SMILES:O1C(CCC=C(C)C)(C)C=Cc2c1cc(CCCCC)cc2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 112119
SMILES:c1(C2Oc3c(c(O)cc(CCCCC)c3)C3CC(C(=C)C)CCC3(C)O2)ccc(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -14.546
InChIKey:SPQVNKHCUIZVSS-UHFFFAOYSA-N