ID: 95026
SMILES:C(C)(CCC=C(C)C)=CCc1c(O)c2c(cc1O)C(=O)CC(c1c(O)cc(CCCCC)cc1O)C=C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.666
CB1 binding score: -15.519
InChIKey:DXVXCVJCRYBRPI-UHFFFAOYSA-N
ID: 95027
SMILES:C1CC2C(C)(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 95028
SMILES:COc1c2c(cc(CCCCC)c1)OC(C)(C1OC(C)(C=C)CC1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.405
InChIKey:NRASIRAPTUNVHT-UHFFFAOYSA-N
ID: 95029
SMILES:c1(C2OC23CCC=C(CO)CO3)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.499
CB1 binding score: -15.951
InChIKey:PHTPAMOZUWRZPJ-UHFFFAOYSA-N
ID: 95030
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: 95031
SMILES:CC1(CCC=C(CCC=C(C)C)C)Oc2c(c(O)cc(CCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 95032
SMILES:C(C12c3c(cc(CCCCC)cc3OC(C)=O)OC(C)(C(OC(C(C)=CC)=O)C1)CC2)(OC)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.578
CB1 binding score: -12.767
InChIKey:PCLOYULFTOGXKJ-UHFFFAOYSA-N
ID: 95033
SMILES:CC(C)C(CCc1c(C)cc(O)c(=O)c2c1OC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -13.819
InChIKey:SOLJMYLMQXULIV-UHFFFAOYSA-N
ID: 95034
SMILES:CCCCCc1cc(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: 95035
SMILES:C(CC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 95036
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: 95037
SMILES:CCCCCc1cc2c(cc1O)C1=C(C(C)(CCC=C(C)COC(C)=O)C2)CCC(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.651
CB1 binding score: -13.27
InChIKey:IQKULTXBJOMWPA-UHFFFAOYSA-N
ID: 95038
SMILES:Oc1c2c(cc(CCCC)c1)OC(C)(C)C1C2CC(C)(O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.563
InChIKey:SNPHSPHUPGUCAY-UHFFFAOYSA-N
ID: 95039
SMILES:BrC1=CC(C)=CC(c2c(OC)cc3c(c2C)OC(C)(C)C2CCC(C)=CC23)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 457.408
CB1 binding score: -17.61
InChIKey:MNVJHOGETUWYHS-UHFFFAOYSA-N
ID: 95040
SMILES:C(C)(C1C(=O)C2C(C)(Oc3c(c(O)cc(CCCCCC)c3)C2O)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.709
InChIKey:ZBBLFTGZGFPHPT-UHFFFAOYSA-N
ID: 95041
SMILES:CCCCCCc1ccc2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.029
InChIKey:ICAPDZLFMAAAMP-UHFFFAOYSA-N
ID: 95042
SMILES:Oc1cc2c(c(=O)c(-c3ccc(OC)cc3)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.468
CB1 binding score: -16.015
InChIKey:OWQJYTXTARKSHY-UHFFFAOYSA-N
ID: 95043
SMILES:O=C1C(C(C(O)C(O)C)O)=CC(=O)C2=C1CC1C(C)(O2)CC=CC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.422
CB1 binding score: -14.338
InChIKey:ABOCZXLDKSSNRS-UHFFFAOYSA-N
ID: 95044
SMILES:c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 95045
SMILES:C(=C(C)CC(C(C(C)(C)O)OC)O)CC1Oc2cc(CCCCC)cc(OC(C(F)(F)F)=O)c2C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.597
CB1 binding score: Not available
InChIKey:JKHJXHFRTYKMGK-UHFFFAOYSA-N
ID: 95046
SMILES:CC(C)=CCC1C(C)(C)Oc2c(c(O)cc(CCCCC)c2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -14.263
InChIKey:AIFCRJULPMDINL-UHFFFAOYSA-N