ID: 54496
SMILES:c1(CCCCC)cc(O)cc2c1NC(=O)C21C2Oc3c(O)c(C(=O)CCCCC)cc(O)c3C3C1C(C)(CC2)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 549.664
CB1 binding score: Not available
InChIKey:JNDYKZKULDZJSV-UHFFFAOYSA-N
ID: 54497
SMILES:C(CCc1cc(O)c2c(c1C)OC(C)(C)C1=C2CC(C)CC1=O)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.222
InChIKey:IGLGLJLUGCPKPB-UHFFFAOYSA-N
ID: 54498
SMILES:O1C2(CC(C(O)=O)=CCC2C(C)C)Oc2c(c(O)cc(CCCCC)c2)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.772
InChIKey:NTCRMCZHQGFEGD-UHFFFAOYSA-N
ID: 54499
SMILES:c12cc(CCCCC)c(OC)c3c1c1c(cc(O)cc1C)OC(C)(C)C3CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.528
CB1 binding score: -16.859
InChIKey:HEOFXCSFNPQAQS-UHFFFAOYSA-N
ID: 54500
SMILES:c1c2c(c(O)cc1C)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.176
InChIKey:SCKBYPQUVQGVFF-UHFFFAOYSA-N
ID: 54501
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 54502
SMILES:O1C(OC)c2c(CCC(C)=O)cc3c(c2-c2c(O)cc(CCCCC)cc21)OC(C)(C)C1C3CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 518.694
CB1 binding score: -11.188
InChIKey:HECLAEZILNPCHZ-UHFFFAOYSA-N
ID: 54503
SMILES:C1C(=C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.089
InChIKey:MXHIJQHAYHJSTF-UHFFFAOYSA-N
ID: 54504
SMILES:C12CC3(C=O)OCC(C)C3C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -12.386
InChIKey:ASJAGZJBCSKHLP-UHFFFAOYSA-N
ID: 54505
SMILES:C1=CC(CCC=C(C)CCC=C(CO)C)(C)Oc2cc(CCCCC)c(C(=O)O)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -14.93
InChIKey:XXVKQNZBNCKNFF-UHFFFAOYSA-N
ID: 54506
SMILES:CCCCCc1cc2c(c(O)c1)C1C(COC(=O)C1)C(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -13.064
InChIKey:KJPKWJQKXZEAAL-UHFFFAOYSA-N
ID: 54507
SMILES:C(c1c(C)cc2c(c1OC)C1=C(C(C)(C)O2)C(OC)CC1C)CC(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.109
InChIKey:UXNONQLJIDZOGK-UHFFFAOYSA-N
ID: 54508
SMILES:C(C=C(C)C=O)CC1(C)C2C(c3c(cc(CCCCC)cc3O)O1)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -16.261
InChIKey:LPONUDWOEVEOIW-UHFFFAOYSA-N
ID: 54509
SMILES:CC1(C)C2C3(C)OC1c1c(cc(CCCCC)cc1O)OC(C)(C)C2C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.112
InChIKey:IIQRNOXSOUAECJ-UHFFFAOYSA-N
ID: 54510
SMILES:C(CCc1cc(O)c(C2C(C(CCC=C(C)C)C)C(O)CC(C)C2)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.646
CB1 binding score: -15.383
InChIKey:NKNRGCZWEWBOFF-UHFFFAOYSA-N
ID: 54511
SMILES:C1(C)C2C(c3c(O)cc(CCCC)cc3O1)OC(C)(C)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -12.769
InChIKey:HCSQIBTWIKCQKQ-UHFFFAOYSA-N
ID: 54512
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 54513
SMILES:O1C2(c3c(O)cc(C)cc3OC2(C)C)C1(CCCO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -12.293
InChIKey:NSXGECVTWDQDMV-UHFFFAOYSA-N
ID: 54514
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2cc(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.067
InChIKey:OBJJEVJNCDBGOD-UHFFFAOYSA-N
ID: 54515
SMILES:C(C)CCCCNC(C1CCC(Cc2c(O)c(CCCCC)cc(O)c2)C1(C)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 417.634
CB1 binding score: -15.67
InChIKey:HTJGLZRUCXYZDM-UHFFFAOYSA-N
ID: 54516
SMILES:c1(C2C(C(C)=C)CC(O)C(C)=C2)cc(CCCOC)ccc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.531
InChIKey:YQGONKMHKBLYLR-UHFFFAOYSA-N