ID: 101452
SMILES:C1=C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.314
InChIKey:GGKYVLLDQFBDDU-UHFFFAOYSA-N
ID: 101453
SMILES:C(C)(C)(C12C(O)(CC(C)C1)c1c(cc(C)cc1O)O2)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -17.919
InChIKey:IKMPWTYTZXDOOS-UHFFFAOYSA-N
ID: 101454
SMILES:CC1=CCC(C(C)(O)C)C(c2c(O)ccc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.527
InChIKey:YYGVHKRHMUVINM-UHFFFAOYSA-N
ID: 101455
SMILES:CC1(C)C2c3c(cc(CCCCC)cc3O)OC(C3CCC(C)(O)CC3(O)C1=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -13.736
InChIKey:LUMLEJJDVVJQAM-UHFFFAOYSA-N
ID: 101456
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 101457
SMILES:CC1(C)C=Cc2c(ccc(CCCC)c2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 216.324
CB1 binding score: -18.846
InChIKey:TZLYKFIPBYJMLM-UHFFFAOYSA-N
ID: 101458
SMILES:C(CCc1cc(O)c(O)cc1CC=C(CCC=C(C)C)C)(C1OC1(C)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -13.938
InChIKey:QWYABUSHIWIQEE-UHFFFAOYSA-N
ID: 101459
SMILES:C1(Oc2cc(C)c(CCC(O)(C)CC)cc2O)CC(O)(C)C(O)CC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.536
CB1 binding score: -15.536
InChIKey:BITKXPGQDZSTOM-UHFFFAOYSA-N
ID: 101460
SMILES:Oc1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 101461
SMILES:C1C(=C)CCC2C(C)(C)Oc3cc(CCCCC)ccc3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.687
InChIKey:FAILRRYKWGYKKV-UHFFFAOYSA-N
ID: 101462
SMILES:c1c(O)c(CC=C(C)C)c(OC)cc1CCCCCO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -15.515
InChIKey:TVCDIHSKBKEWJX-UHFFFAOYSA-N
ID: 101463
SMILES:c12c(CC=C(C)C)c(O)cc(CCCCC)c1C1C=C(COC(=O)CC(CC(=O)O)(O)C)C(=O)C=C1C(=O)CC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 580.718
CB1 binding score: -16.519
InChIKey:POTBPLJICFWPND-UHFFFAOYSA-N
ID: 101464
SMILES:C(C)c1c(O)c(C=O)c(O)c(C2C=C(C)CCC2C(C)=C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.016
InChIKey:LMWYIXVJAUHYJC-UHFFFAOYSA-N
ID: 101465
SMILES:CC1(C)Oc2cc(C)c(O)cc2C2C=C(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.623
InChIKey:MUNXTPXTGBOZLU-UHFFFAOYSA-N
ID: 101466
SMILES:CC1=CC2c3c(O)cc(CCC)cc3OC2CC(CCC=C(C)C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.047
InChIKey:BZMPWIOSCJZSPS-UHFFFAOYSA-N
ID: 101467
SMILES:CC1(C)C2CC=C(C)CC2c2c(C)cc(O)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.35
InChIKey:XAYRLUBHJAOWEN-UHFFFAOYSA-N
ID: 101468
SMILES:CC1(C)Oc2c(c(O)c(C#CC(OC)(C)C)cc2)C2C=C(C(C)C)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -12.358
InChIKey:AGEJPGXJASDIPH-UHFFFAOYSA-N
ID: 101469
SMILES:CC(c1c(OC)cc2c(c1)OC(C)(C)C1C2OC(C)(CCC=C(C)C)C1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -12.662
InChIKey:MCNCWQSILBTVEO-UHFFFAOYSA-N
ID: 101470
SMILES:C1(C)(C)Oc2cc(CCC)cc(O)c2C2=C1CCC(C)C2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.352
InChIKey:SCBXGWCGTJNXFA-UHFFFAOYSA-N
ID: 101471
SMILES:C(CCCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.723
InChIKey:TWMARAAMRBHEFT-UHFFFAOYSA-N
ID: 101472
SMILES:C12CCC3(C)Oc4cc(CCCCC)cc(O)c4C1C3(C(=O)O)C(O)CC(C(C)(C)O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.584
CB1 binding score: -14.605
InChIKey:XNALQRFSWGPHFM-UHFFFAOYSA-N