ID: 75853
SMILES:C1C2(O)CC=C(C)C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.263
InChIKey:QRTUSQVBAQDYNR-UHFFFAOYSA-N
ID: 75854
SMILES:C1C2c3c(cc(CCCCC)cc3O)OC(C)(C1)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.576
InChIKey:GMEJVDZUACUSNB-UHFFFAOYSA-N
ID: 75855
SMILES:C(Br)C12Oc3c(c(O)cc(CCCCCC)c3)C(C)(C1)CCC2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 397.353
CB1 binding score: -16.03
InChIKey:OGYJVKVKKSNGQU-UHFFFAOYSA-N
ID: 75856
SMILES:C=C(C1CCC(C)=CC1c1c(O)cc(CCCCCO)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.184
InChIKey:ZKGKOAJUWMGRFB-UHFFFAOYSA-N
ID: 75857
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 75858
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.083
InChIKey:PRISDTJMCYUMEO-UHFFFAOYSA-N
ID: 75859
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)(O)C(CC2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -14.607
InChIKey:MMBJTUKINUZBPM-UHFFFAOYSA-N
ID: 75860
SMILES:C(C)(C)C(=C)CC(OC)C(C)=CCOc1c(C(C(CC)C)=O)c2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 538.769
CB1 binding score: -16.141
InChIKey:JWFNQJMNRFHIKU-UHFFFAOYSA-N
ID: 75861
SMILES:C(CCCC(c1c2c(c(=O)c3ccccc3c1O)OC(C)(C)C1CCC(C)=CC21)CC=C(C)C)(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.696
CB1 binding score: -13.159
InChIKey:FVDFTWWXZGKIBI-UHFFFAOYSA-N
ID: 75862
SMILES:C(C(=C)C)(CCC(=CCc1c(O)cc(CCCCC)cc1O)C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.095
InChIKey:QHVZLGLIPCDSKP-UHFFFAOYSA-N
ID: 75863
SMILES:Oc1c(C(=O)CC(C)C)c2c(cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.448
InChIKey:HGBJAQKTOUEFRO-UHFFFAOYSA-N
ID: 75864
SMILES:C1(C)=CC2C(CC1O)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 75865
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(COCC)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.123
InChIKey:OIYUBVNPECFWIK-UHFFFAOYSA-N
ID: 75866
SMILES:OC1C2C(=O)C=C(C)CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.781
InChIKey:SYNJMSYLFSYWFE-UHFFFAOYSA-N
ID: 75867
SMILES:c12cc(C)c(Br)cc1-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 389.333
CB1 binding score: -16.681
InChIKey:OTKPDAYTNFKOLH-UHFFFAOYSA-N
ID: 75868
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC1(C)O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -18.028
InChIKey:HPIOBJRHEQPYEG-UHFFFAOYSA-N
ID: 75869
SMILES:C1=C(C)C2C(O)(CC1)C(C)(C)Oc1cc(C)c(O)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids;Miscellaneous meroterpenoids
MW: 274.36
CB1 binding score: -16.553
InChIKey:PYOGLHFQOYBTAC-UHFFFAOYSA-N
ID: 75870
SMILES:O(CC(CCCC(C1=CCC2(C)CC3C(C(=O)C1C=C(C)C)C2(C)Oc1c(c(O)cc(CCCC)c1)C3O)C)C)C(c1ccccc1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 656.904
CB1 binding score: -13.392
InChIKey:RMPLRWUVMUHMRE-UHFFFAOYSA-N
ID: 75871
SMILES:CC(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C(=CC)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.997
InChIKey:NCOQVGXBAPOGMQ-UHFFFAOYSA-N
ID: 75872
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 75873
SMILES:C1(C)=C2C(c3c(cc(CCCCC)cc3OC)OC2(C)C)CC1(C(C)=C)OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.858
InChIKey:MCDRANCULSQTAW-UHFFFAOYSA-N