ID: 32404
SMILES:C1=CC(C)(CCC=C(C)COC(CC(C)C)=O)Oc2cc(CCCCC)cc(OC3C(O)C(O)C(O)C(CO)O3)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 576.727
CB1 binding score: -15.907
InChIKey:QFQSQWXBCGQVSK-UHFFFAOYSA-N
ID: 32405
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 32406
SMILES:C1C(OC)C(=O)C2=C(c3c(cc(CCCCC)c(O)c3O)OC2(C)C)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.369
InChIKey:KLTNBIPWBFSIIY-UHFFFAOYSA-N
ID: 32407
SMILES:c1(CCCC)ccc(O)c(CC=C(CCC=C(C)C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 286.459
CB1 binding score: -18.208
InChIKey:PSMHNXSQELAMNN-UHFFFAOYSA-N
ID: 32408
SMILES:CC12Oc3c(c(O)cc(CCCCCC)c3)C(C1(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -15.555
InChIKey:MXMBYJABDMIMON-UHFFFAOYSA-N
ID: 32409
SMILES:C1CC2C(C)(C)Oc3cc(OC)c(C)cc3C2C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.612
InChIKey:SLTRZKCTTPRABF-UHFFFAOYSA-N
ID: 32410
SMILES:c1(CO)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.441
InChIKey:UKTGXEQHQBLPRE-UHFFFAOYSA-N
ID: 32411
SMILES:C(CCCCCc1cc2c(c(O)c1)C1C(CC=C(CO)C1)C(=O)O2)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -14.345
InChIKey:IYDLZCAYNWSSJP-UHFFFAOYSA-N
ID: 32412
SMILES:C12C(c3c(O)cc(C(C)C(C=C(CC)C)C(=O)C)cc3O1)C(CC(C)C)CC=C2C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -15.883
InChIKey:XPMZIPZPJKKIDU-UHFFFAOYSA-N
ID: 32413
SMILES:c1(O)cc(CCCCC)cc2c1C1C(O)(C(=O)c3c(cc4c(c3C)OC(C)(C)C=C4)CC(C)=C1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.597
CB1 binding score: -14.194
InChIKey:OQFAQWLZXJHORS-UHFFFAOYSA-N
ID: 32414
SMILES:C1CC(C=C)(C)C(C(C)=C)C(c2c(O)cc(CCCCC)c(C(=O)O)c2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.577
InChIKey:OBLPMYXDSOXHSX-UHFFFAOYSA-N
ID: 32415
SMILES:C(C(=O)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21)CC(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -13.39
InChIKey:YVOODUUYDJKFDY-UHFFFAOYSA-N
ID: 32416
SMILES:C(O)C=Cc1cc(C2C(C(C)=C)CCC(C)=C2)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -17.564
InChIKey:WXISRMIXXJEGHH-UHFFFAOYSA-N
ID: 32417
SMILES:CC(C)C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 32418
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(COC)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.608
InChIKey:JXPUHPSJALQJKV-UHFFFAOYSA-N
ID: 32419
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 32420
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 32421
SMILES:CC(C)=CCCC(=C)C=CCC(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -14.385
InChIKey:TVVNYYHZRQVUFL-UHFFFAOYSA-N
ID: 32422
SMILES:O=C(C)Oc1c(C2C=C(C)CCC2C(=C)C)c(O)c(C=O)c(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -15.609
InChIKey:VGWJUGVDKBKVAB-UHFFFAOYSA-N
ID: 32423
SMILES:C(C=C(C)C)CC(=CCCC1(C)Oc2cc(CCCC)c(O)c(O)c2C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -16.378
InChIKey:RRQIRBLVUFBTFX-UHFFFAOYSA-N
ID: 32424
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N