ID: 43996
SMILES:C(CCC)Cc1cc2c(cc1O)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.497
InChIKey:MPSLHJUTUUBRHL-UHFFFAOYSA-N
ID: 43997
SMILES:C(C)CCCc1cc(O)c(CC=C(C)CCC(O)C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.454
InChIKey:AXEVFBMIKLHKQY-UHFFFAOYSA-N
ID: 43998
SMILES:c1(C(C)=O)cc2c(cc1)OC(Oc1c(O)c(CCCCC)cc3c1C1C(C(C)(C)O3)CC(C)=CC1=O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 518.65
CB1 binding score: -16.373
InChIKey:KUYMEKRQDRHRPG-UHFFFAOYSA-N
ID: 43999
SMILES:C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(O)(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.723
InChIKey:TWMARAAMRBHEFT-UHFFFAOYSA-N
ID: 44000
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.15
InChIKey:FXRYFSBEEDYORZ-UHFFFAOYSA-N
ID: 44001
SMILES:C(=O)C1=C(c2c(O)cc(CCCCC)cc2)C(O)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.2
InChIKey:NASIGLKVHXYRQS-UHFFFAOYSA-N
ID: 44002
SMILES:CC12C(CCC3C1c1c(cc(CCCCC)cc1O)O3)C(C)(C)CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.882
InChIKey:YSVYPLBKCMVPPI-UHFFFAOYSA-N
ID: 44003
SMILES:O(CC)CCOCCc1c(O)cc2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -15.67
InChIKey:MFTSPRPXDIBCOP-UHFFFAOYSA-N
ID: 44004
SMILES:c1(O)cc(CCCC)cc2c1C1C(C(CO)(C)C2)CCC(C=O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.944
InChIKey:HIHXQWZLXDPJQP-UHFFFAOYSA-N
ID: 44005
SMILES:C(CC(C)=C1C(O)CC(C)C2C(=C1)C(C)CC2)c1cc2c(c(O)c1)CC(O)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.552
InChIKey:SPTVBKKUODUHFN-UHFFFAOYSA-N
ID: 44006
SMILES:CC1(C)C(Cc2c(O)c(C(=O)O)c(CCCCC)cc2O)CC=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.132
InChIKey:NXDMPSLSGBVVIK-UHFFFAOYSA-N
ID: 44007
SMILES:C=CC1(C)CCC2(C)c3c(O)cc(C)cc3OC(C)(C)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.929
InChIKey:RZXPYEJUIFXJSV-UHFFFAOYSA-N
ID: 44008
SMILES:c1(C(C)CC(=CCC)C)cc(O)c(CC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -15.012
InChIKey:VLLJZXMQJWSZOI-UHFFFAOYSA-N
ID: 44009
SMILES:c1(O)cc(CCCC)cc2c1C1C(C(=C)C)C(C(CC=C(C)C)(C)C=C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.545
CB1 binding score: -14.022
InChIKey:PYYOATDYFCTMBO-UHFFFAOYSA-N
ID: 44010
SMILES:C(c1c(O)cc(CCCCCO)cc1O)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.529
InChIKey:COVRHYFBYAUUIR-UHFFFAOYSA-N
ID: 44011
SMILES:C(CO)CCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(OC(C)=O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.414
InChIKey:CBWMYOLGMNQQRC-UHFFFAOYSA-N
ID: 44012
SMILES:C1(CC(O)C=C(C)C)=CCC2(C(C(C)C)=O)Oc3cc(CCCCC)cc(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -17.677
InChIKey:YBQNKRLYXGJCDJ-UHFFFAOYSA-N
ID: 44013
SMILES:C(C12C=CC(C)=CC1c1c(cc(CCCCC)cc1O)O2)OC(=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -11.813
InChIKey:SGJWVIYRWMCNII-UHFFFAOYSA-N
ID: 44014
SMILES:c1c(C(=O)C(C(C)CCCC)C)c(C=O)c(O)c(C2C=C(C)CCC2C(C)=C)c1OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -15.163
InChIKey:UZWYAOPAYGVGRY-UHFFFAOYSA-N
ID: 44015
SMILES:C1(C)(C)C2=Cc3c4c(cc(O)c3CC2CC(C)(C)O1)OC(C)(C)C(O)C4
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.091
InChIKey:DSDDWXSUTXDILA-UHFFFAOYSA-N
ID: 44016
SMILES:c1c(O)c(C2C=C(C)CCC2C(=C)C)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.225
InChIKey:BEXSRXTVRHPHGL-UHFFFAOYSA-N