ID: 59872
SMILES:C12CC(CCC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.811
InChIKey:NEMUMDJBYRLNID-UHFFFAOYSA-N
ID: 59873
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CC(C)=CCCC3(CO3)C2O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.493
InChIKey:SZWKCXQOPFTXEF-UHFFFAOYSA-N
ID: 59874
SMILES:O1c2c(c(C)cc(O)c2C2(Oc3ccc(CCCCC)cc3)C(C(C)=C)C2)OC1C=C(C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.657
CB1 binding score: -17.184
InChIKey:UISBNPRHWACSEU-UHFFFAOYSA-N
ID: 59875
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(CC1)C1C2C(O)CCC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -16.655
InChIKey:QXRDJLVHARPYSB-UHFFFAOYSA-N
ID: 59876
SMILES:c1c(O)c(CCCCC)cc2c1C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.244
InChIKey:RATPZVRWFAEHRG-UHFFFAOYSA-N
ID: 59877
SMILES:C1(C)(C=C)Cc2c(OC(=O)C)cc(CCCCC)cc2OC1CC(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.026
InChIKey:PSEUFHCTVVRUNB-UHFFFAOYSA-N
ID: 59878
SMILES:C=Cc1cc(O)c2c(c1O)OC(C)(C)C1CC=C(CO)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -19.194
InChIKey:UVSULHRGHZBBQI-UHFFFAOYSA-N
ID: 59879
SMILES:C1(C)(C)C2C1C1C(C(C)(C)Oc3c(O)c(C(C)(CCCC)C)cc(O)c32)CCC1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -16.471
InChIKey:YFFNVZRTOCYDIW-UHFFFAOYSA-N
ID: 59880
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 59881
SMILES:C1C2(O)C(c3c(cc(CCCCC)cc3O)OC1(C)C)OC(C(=C)CO)(CC2)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.639
CB1 binding score: -14.903
InChIKey:JFGKXNJLCYSFPQ-UHFFFAOYSA-N
ID: 59882
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 59883
SMILES:C(C)=Cc1cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -15.603
InChIKey:GPZAQGQTQYAFFC-UHFFFAOYSA-N
ID: 59884
SMILES:CC1=CC(c2c(O)ccc(OC)c2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.401
InChIKey:YRXZLRWBEYIBHE-UHFFFAOYSA-N
ID: 59885
SMILES:C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C=CC=C(C)C)C1)C(C)=CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -14.917
InChIKey:YFQJLGWJDAWJSJ-UHFFFAOYSA-N
ID: 59886
SMILES:c1(C)cc(O)c2c(c1)OC1(C)CC2C(C(C)C)=CC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -17.235
InChIKey:CCFHTLCGUVEWNT-UHFFFAOYSA-N
ID: 59887
SMILES:CC(C)C1C2(O)C(C)(CC1)Oc1c(c(OC)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -13.875
InChIKey:HAJVHDSCTOKZHQ-UHFFFAOYSA-N
ID: 59888
SMILES:c1c(C(=O)OCCC(C)=CCCC(=CCc2c(O)c(C)cc(OC)c2)C)cccc1CCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.673
CB1 binding score: -15.811
InChIKey:GOFOBCLTLCGELI-UHFFFAOYSA-N
ID: 59889
SMILES:C(=C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 59890
SMILES:CCc1c2c(c(O)c(CC=C(CCC=C(C)C)C)c1)OC(C)(C)C1C2(O)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -15.667
InChIKey:PWGVBJASJFPEBY-UHFFFAOYSA-N
ID: 59891
SMILES:c1(C(=O)O)cc2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.515
InChIKey:ZAVUVJKIYYTDNI-UHFFFAOYSA-N
ID: 59892
SMILES:CCCc1cc(O)c2c(c1O)OC(C)(CCC=C(C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -17.098
InChIKey:XIWBYVOFSYBXGI-UHFFFAOYSA-N