ID: 67789
SMILES:c1(C(C)CC(CC(C)C)=O)c2c(c(O)c(C)c1C(C(CC)C)=O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: -15.84
InChIKey:BDZJDUFMALHZLE-UHFFFAOYSA-N
ID: 67790
SMILES:c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(=O)C(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.317
CB1 binding score: -16.203
InChIKey:IWIOYKCXPDETMC-UHFFFAOYSA-N
ID: 67791
SMILES:c1(C)cc(OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c(OC(=O)C)c2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 646.686
CB1 binding score: -13.446
InChIKey:QGCQKGROIXZBSV-UHFFFAOYSA-N
ID: 67792
SMILES:Cc1cc2c(c(O)c1)C1C(CC1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 218.296
CB1 binding score: -17.122
InChIKey:FDDIMPOSTSOHPK-UHFFFAOYSA-N
ID: 67793
SMILES:C(CCCc1cc2c(c(O)c1)C1C(=O)C(C)(C)OC1(C(C)=O)C2)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -12.544
InChIKey:PJRVFKZUUVUNFU-UHFFFAOYSA-N
ID: 67794
SMILES:C(C=C(CCC=C(C)C)C)c1cc(CCCCC)ccc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 67795
SMILES:c1(CCCCC)cc2c(c(O)c1C=O)C=CC(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.039
InChIKey:DOPKUPBWTQHMKL-UHFFFAOYSA-N
ID: 67796
SMILES:C1(C)=CC2c3c(cc(OC)c(C(CCCC=C)C)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -13.234
InChIKey:WNCITVRQNIKTQC-UHFFFAOYSA-N
ID: 67797
SMILES:C(CCCC)c1cc(O)c2c(c1O)C1C(CC=C(C)CCC=C(C)C1)(CC(OC)=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -15.104
InChIKey:OGSDBFMAWLLLTR-UHFFFAOYSA-N
ID: 67798
SMILES:C12(C(C=C(CCC=C(C)C)C)Oc3c1c(O)cc(CCCCC)c3)Oc1ccc3c(c1C2)OC(C)(C)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.722
CB1 binding score: -14.748
InChIKey:CBUGJHSGXHRPFZ-UHFFFAOYSA-N
ID: 67799
SMILES:c1c(OCc2cc(O)c3c(c2)OC(C)(C)C2C3C(CO)=CC(C)C2)c(O)c(CC=C(C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.601
CB1 binding score: -15.289
InChIKey:YUWWXMRFFCSPMI-UHFFFAOYSA-N
ID: 67800
SMILES:O(c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(COC(=O)C)=CC21)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -16.722
InChIKey:WEASHBWPCISEBW-UHFFFAOYSA-N
ID: 67801
SMILES:C1(C)C(C)=CCC(C)(C)C1c1c(O)cc(CCCCC=CCC)cc1OCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.851
InChIKey:LXUXQLDFJUBAQI-UHFFFAOYSA-N
ID: 67802
SMILES:c12c3c(ccc1C)C(C)(C)Oc1c3c(cc(CCCCC)c1)OC(C)(C)C2CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.583
CB1 binding score: -15.518
InChIKey:WXYHOWXDBXIWMN-UHFFFAOYSA-N
ID: 67803
SMILES:C(C=C(C)C)c1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.306
InChIKey:BETAZIWVUZITHJ-UHFFFAOYSA-N
ID: 67804
SMILES:CC1(C)C=Cc2c(C(OC)=O)cc(CCCCC)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -14.574
InChIKey:VSXUUHIPYQFCED-UHFFFAOYSA-N
ID: 67805
SMILES:C1(=C)CCC(C(C)C)C(c2c(O)cc(CCCC)cc2O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.427
InChIKey:ASCAWSKTRPWPPU-UHFFFAOYSA-N
ID: 67806
SMILES:CCCc1c(C2C(C(=C)C)CCC(C)=C2)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 254.417
CB1 binding score: -16.992
InChIKey:OLCDLVPORKFTAA-UHFFFAOYSA-N
ID: 67807
SMILES:C(C)CCCc1cc2c(cc1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 67808
SMILES:OCC(C)CCc1cc2c(c(O)c1)C1C(C)=CC2C(C(C)(O)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.374
InChIKey:KEBBUIUGCZTLTI-UHFFFAOYSA-N
ID: 67809
SMILES:c12c(cc(OC)c(CCCCC)c1)OC(C)(C)C1C2C=C(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.526
InChIKey:LPVAKWCTCAMGGP-UHFFFAOYSA-N