ID: 47440
SMILES:C123OC(CCC(C)=CCc4c(O)c(C)cc(O)c41)C(C)(C)OC2OC(=O)C(=CC)C3C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: -14.306
InChIKey:ZKWPUOQZUFVCOO-UHFFFAOYSA-N
ID: 47441
SMILES:C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CCC=C(C)C)C1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.545
CB1 binding score: -16.015
InChIKey:BNNHPNMVEBRQSZ-UHFFFAOYSA-N
ID: 47442
SMILES:COc1cc(CCCCC)cc2c1C1C=C(C)C(O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.5
InChIKey:RPLKKIAMEMEPBV-UHFFFAOYSA-N
ID: 47443
SMILES:c1(O)cc(O)c2c(c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.624
InChIKey:ZZWZWPVQXHMOQM-UHFFFAOYSA-N
ID: 47444
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: 47445
SMILES:C1C(=C)CC2C(C3OC31C)C(C)(C)Oc1cc(C)c(C(=O)OC)c(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -10.232
InChIKey:XRTSFHMCHFOSQC-UHFFFAOYSA-N
ID: 47446
SMILES:CC(CCC=C(C)C)=CCc1c(O)cc(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.891
InChIKey:JFJAMLJGMDJCRJ-UHFFFAOYSA-N
ID: 47447
SMILES:C(C)(C)=CCCC1(C)Oc2cc(O)cc(C=CC(CC)OCC)c2C2=C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -16.008
InChIKey:QHKYRYTVGCVPFE-UHFFFAOYSA-N
ID: 47448
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(C=O)c1CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -14.839
InChIKey:ZXBRFEMCEUISNA-UHFFFAOYSA-N
ID: 47449
SMILES:C(Cc1cc(O)c(C2C=C(C)C(O)CC2C(=C)C)c(O)c1)C(C)(Cl)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.913
CB1 binding score: -16.971
InChIKey:YRTWDPODBYEBIG-UHFFFAOYSA-N
ID: 47450
SMILES:Oc1cc(CCC)cc2c1-c1c(ccc(C)c1O)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.382
CB1 binding score: -15.978
InChIKey:NLHNIPLBIJVQBI-UHFFFAOYSA-N
ID: 47451
SMILES:Oc1c(CC=C(C)CCC=C(C)C)cc(O)cc1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.748
InChIKey:VRXKPPYOGGSRFK-UHFFFAOYSA-N
ID: 47452
SMILES:C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC1(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 47453
SMILES:C1(=O)C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 47454
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1(C)CCC1(O)C(C)(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.232
InChIKey:HWKHZHNRBACEGW-UHFFFAOYSA-N
ID: 47455
SMILES:c1c(O)c(C(C(C)C)OC)c(O)c2c1OC(CCC=C(C)C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.605
InChIKey:DIPCBIRSJXGICT-UHFFFAOYSA-N
ID: 47456
SMILES:Fc1cc(F)cc(C(OC2C(C)=CC3C4C(C)(CO)CC3C4(C)C2)CCCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.595
CB1 binding score: -11.807
InChIKey:SLPDZIBEYXVBHC-UHFFFAOYSA-N
ID: 47457
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)Cc1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -15.396
InChIKey:OKVDQIGSKPJTSG-UHFFFAOYSA-N
ID: 47458
SMILES:CC1(C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.085
InChIKey:NBKYHNONEWSMHK-UHFFFAOYSA-N
ID: 47459
SMILES:C1CC(COC(=O)C(CC)C)=CCC2c3cc(O)c(C)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.734
InChIKey:QYHXSXDNDVRFLX-UHFFFAOYSA-N
ID: 47460
SMILES:CC(=CCCC1(C)Oc2cc(CCCCC)c(O)c(O)c2C2C1CCC(C)=CCCC(C)=CC2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.733
CB1 binding score: -15.588
InChIKey:OKVREHRDVJQUAH-UHFFFAOYSA-N