ID: 77680
SMILES:OC(C=C(C)C)C(c1c2c(c(O)c(CC=C(C)C)c1O)OC(C)(C)C1C2CC(C)=CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -14.084
InChIKey:WSZNPYDXERFYOQ-UHFFFAOYSA-N
ID: 77681
SMILES:C12C=CC(C)=CC1c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -17.388
InChIKey:SOYWJUZWBBJJEO-UHFFFAOYSA-N
ID: 77682
SMILES:CC(=CC(=O)CC(C)c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.714
InChIKey:IVEFATOACXVTNL-UHFFFAOYSA-N
ID: 77683
SMILES:O(c1c(OC)c(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -18.752
InChIKey:RHEHYVZUEHYPRN-UHFFFAOYSA-N
ID: 77684
SMILES:C(C(C)=O)(O)CCC(C)=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -15.426
InChIKey:RUWWQMATIKHBHW-UHFFFAOYSA-N
ID: 77685
SMILES:c12cc(C)ccc1C(C)(C)Oc1cc(CCCCC)cc(OC(C)=O)c1C(=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.483
CB1 binding score: -15.39
InChIKey:BRNVFXHQUPZCKP-UHFFFAOYSA-N
ID: 77686
SMILES:C1C(C(=C)C)Cc2ccc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.378
CB1 binding score: -17.454
InChIKey:CPDYXQYDTJXGHC-UHFFFAOYSA-N
ID: 77687
SMILES:c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.792
InChIKey:UGRLMQVLYLFVDE-UHFFFAOYSA-N
ID: 77688
SMILES:C1(C)=CCC(C)(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.562
CB1 binding score: -12.695
InChIKey:SBYCJNJOHKFNAG-UHFFFAOYSA-N
ID: 77689
SMILES:CC1=CCCC2(C)C(Cc3c(cc(CCCC)cc3O)O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.524
InChIKey:JDICITZXBLQYAZ-UHFFFAOYSA-N
ID: 77690
SMILES:OC1C(C(C)(C)O)C(c2c(O)cc(CCC)cc2O)C=C(CO)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.428
CB1 binding score: -17.392
InChIKey:IZEJWTVWGOHSRT-UHFFFAOYSA-N
ID: 77691
SMILES:C(Cc1cc(OC)ccc1O)Cc1cc2c(c(O)c1C=O)C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.548
CB1 binding score: -12.044
InChIKey:VARBHRJKBYOQQY-UHFFFAOYSA-N
ID: 77692
SMILES:c1(C)c2c(c(C)cc1)OC(c1c(O)cc(CCC)cc1O)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -13.942
InChIKey:HXWSAKKPZFTFTM-UHFFFAOYSA-N
ID: 77693
SMILES:C(CCCCCCCCCCC)CCCC(OCC1=CC2C3c4c(cc(CCCCC)cc4O)OC(C)(C)C3CC1CC2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 608.948
CB1 binding score: -16.059
InChIKey:AMFXJIUXYRFESC-UHFFFAOYSA-N
ID: 77694
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 77695
SMILES:C(C1=CC2C(C=C1)C(C)(C)Oc1c2c(O)cc(C)c1)Br
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 335.241
CB1 binding score: -14.187
InChIKey:XHHGIQXZOGYNSJ-UHFFFAOYSA-N
ID: 77696
SMILES:C(C)CCCc1c(C(=O)O)c(O)c(O)c2c1OC1(C)C2C=C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -13.673
InChIKey:FRKPJKKDGYKZAB-UHFFFAOYSA-N
ID: 77697
SMILES:c1(O)c2c(cc(CCCCCO)c1)-c1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.7
CB1 binding score: -14.487
InChIKey:HURWJEUVTZHWQC-UHFFFAOYSA-N
ID: 77698
SMILES:O1c2c(c(OS(=O)(=O)O)c(CCCCC)cc2O)OC23C(C=CC12C)CC(C(=C)C)C3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.553
CB1 binding score: -16.078
InChIKey:MBUKXXOBNTYGQL-UHFFFAOYSA-N
ID: 77699
SMILES:c1(C(C)CC(C=C(C)C)=O)c(O)cc(CCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 290.403
CB1 binding score: -15.076
InChIKey:IDLOJJLUJDASGD-UHFFFAOYSA-N
ID: 77700
SMILES:O1C(=O)C2=C(C)CC3C2C1c1c(O)cc(CCCCC)cc1OC3(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.023
InChIKey:MIVZXKFTYVUDHL-UHFFFAOYSA-N