ID: 68419
SMILES:c1c2c(cc(CCCC)c1)OC(C)(C)C1=C2C(=O)C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -15.508
InChIKey:BQSLENCQDYRUMP-UHFFFAOYSA-N
ID: 68420
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C=O)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.255
InChIKey:BGIBNWZALWRTHR-UHFFFAOYSA-N
ID: 68421
SMILES:C(C=C(C)C)CC(=CCc1c(O)cc(CCC)c(C(O)=O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -19.667
InChIKey:FAVCTJGKHFHFHJ-UHFFFAOYSA-N
ID: 68422
SMILES:c1(CCCCCCCCCCCCC)cc(OC2CCCC2)c(O)c2c1OC(C)(C)C1C2C=C(C=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.786
CB1 binding score: -10.968
InChIKey:ZMILBZFYXFXIKA-UHFFFAOYSA-N
ID: 68423
SMILES:C(Cc1cc(O)c(C2CC(C)=CC(c3cc(O)ccc3)C2C(=C)C)c(O)c1)=CC(C)(C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.576
CB1 binding score: -16.808
InChIKey:YWVNKIYQTPXTKE-UHFFFAOYSA-N
ID: 68424
SMILES:CC(C)=CCCC(C)=CCc1c(O)cc(C(CCCCC)O)c(O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -14.213
InChIKey:PFPAMJIOARVEDO-UHFFFAOYSA-N
ID: 68425
SMILES:O1C(C)(C)c2ccc3c(c2C(=O)c1)OC(C)(C)C1C3C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: Not available
InChIKey:VAMMJWFYWSOCEI-UHFFFAOYSA-N
ID: 68426
SMILES:C(Oc1cc(CCCCC)cc2c1C1C(=C(C)C)CC(C(C)(OC)C)OC1CC(C)=CC2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.695
CB1 binding score: -15.884
InChIKey:OXWLNSWTBDMLAK-UHFFFAOYSA-N
ID: 68427
SMILES:c1(O)cc(CCCCC)cc2c1C1C(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: 68428
SMILES:C1(=O)C(C)=C(CCCCC2=CCCC(CCC=C(C)C)=CC2)OC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.421
InChIKey:WTBJENARINYKMS-UHFFFAOYSA-N
ID: 68429
SMILES:C(Oc1c(CCCCC)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1CC1C(N=C=S)CC(C)(C)C2C1C=C(C)CC2)(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 621.928
CB1 binding score: -15.795
InChIKey:LCXCTZSOIGMWLY-UHFFFAOYSA-N
ID: 68430
SMILES:CC1=CC(c2c(OC)ccc(CC[N+](C)(C)O)c2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.492
CB1 binding score: -17.083
InChIKey:APHOZERXLQQVOV-UHFFFAOYSA-N
ID: 68431
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 68432
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C3C1C(C(C)(O)CC3)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.233
InChIKey:KMOXJPICPRLCMU-UHFFFAOYSA-N
ID: 68433
SMILES:C1C(C)=CCCC(C)(C=C)Oc2cc(CCCCC)c(C(=O)O)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.929
InChIKey:BOYBGRDCMXCDJU-UHFFFAOYSA-N
ID: 68434
SMILES:c1(CCC)cc(O)c(C2C=C(C(CC=C(C)C)CC=C(C)C)CC(OC)(C)CC2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -15.111
InChIKey:LSRPCYZZPJTWSC-UHFFFAOYSA-N
ID: 68435
SMILES:CC(C)=CCCC(=CCCC(=CCc1c(O)cc(CCCCCO)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.603
CB1 binding score: -16.782
InChIKey:ZKKSUUGHFOIVDB-UHFFFAOYSA-N
ID: 68436
SMILES:C1C2C(O)(CC(O)C1C)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.441
InChIKey:WRUAPKKYJWLKSE-UHFFFAOYSA-N
ID: 68437
SMILES:C(Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.987
InChIKey:QYNCMPYNYFYQFE-UHFFFAOYSA-N
ID: 68438
SMILES:C1OC2(c3c(cc(CCCCC)cc3O)OC2CCC(OC)=O)C=C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -14.56
InChIKey:IDLYPNSIBHEXMO-UHFFFAOYSA-N
ID: 68439
SMILES:OC1C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C2C=C(CCC1=O)C(=O)OCC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -16.539
InChIKey:FNSOKWMOICSVBI-UHFFFAOYSA-N