ID: 60376
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 60377
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCC)c2)C2CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.625
InChIKey:XVWCHOLHYURTMF-UHFFFAOYSA-N
ID: 60378
SMILES:C(CCC1=CC2C=C(CCC=C(C)C)C3OC(=O)C2(CCC1)C(C=O)=C3)CCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -15.082
InChIKey:UKSQGLSIDAQMME-UHFFFAOYSA-N
ID: 60379
SMILES:CC1=CC2(CC1(O)C)c1ccc(CCCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.197
InChIKey:YVTLRDSHOLZAGO-UHFFFAOYSA-N
ID: 60380
SMILES:c12cc(CCCCC)ccc1C1C(C(C)(C)O2)CC(C=C(C)C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.439
InChIKey:MNGYEQORWUPAFS-UHFFFAOYSA-N
ID: 60381
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -16.771
InChIKey:PUDDVBNXOLUKNE-UHFFFAOYSA-N
ID: 60382
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(O)cc(CC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.957
InChIKey:JJBMVXFZSLTKCL-UHFFFAOYSA-N
ID: 60383
SMILES:CC1(C)Oc2cc(O)cc(CCC)c2C2=C1CC(C(O)(C)C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.017
InChIKey:ITHHNHANTFNCFX-UHFFFAOYSA-N
ID: 60384
SMILES:C(CC(C(CCC=C(C)C)C)C)CC(C)=CCc1cc(O)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -14.335
InChIKey:UQVMBLAQUNHUDX-UHFFFAOYSA-N
ID: 60385
SMILES:O1C(=O)C(CCCC(C)=CCC(C(=C)C)C(c2c(O)cc(CCC)cc2O)=O)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -15.452
InChIKey:UITDBXODJGXSIV-UHFFFAOYSA-N
ID: 60386
SMILES:C(OC)(C1=CC2c3c(cc(CCCCC)cc3O1)OC(C)(C)C2CCC(C)=O)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -14.551
InChIKey:BABYUFXEMRYUKE-UHFFFAOYSA-N
ID: 60387
SMILES:C(CCCC)Cc1c(O)c(O)c(CC=C(CCC=C(C)C)C)c(O)c1C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -15.929
InChIKey:KWYXZMRDJOTTML-UHFFFAOYSA-N
ID: 60388
SMILES:C12=CC=C(C=O)CCC1C(C)(C)Oc1cc(CCCCC)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -14.969
InChIKey:LYWKNBUOPYGBSJ-UHFFFAOYSA-N
ID: 60389
SMILES:C(C1=CCC2C(C)(C)Oc3cc(C)c(c(O)c3C(=O)C3C(C)(C)C4CCC(C)=CC34)C21)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.576
CB1 binding score: -13.981
InChIKey:JXWNSWXEHVOYNR-UHFFFAOYSA-N
ID: 60390
SMILES:C(C)CCCc1c(C(=O)O)c(O)c2c3c1OC(C)(C)C1C=C(C(=C)C3C2)C=CC(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.521
CB1 binding score: -15.014
InChIKey:APCZXZAMCXEYAJ-UHFFFAOYSA-N
ID: 60391
SMILES:O(c1cc(OC)c2c(c1)C(=O)C1(O2)C(CC=C(C)C)C(=O)C(C2C(C(C)=C)CCC(C)=C2)=C1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.585
CB1 binding score: -15.507
InChIKey:FQFHUILPBMRBHJ-UHFFFAOYSA-N
ID: 60392
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C(O)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 60393
SMILES:C1=C(C)CCC(C(=C)C)C1c1cc(OC)c(C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.899
InChIKey:JYURTPNPFFXLFB-UHFFFAOYSA-N
ID: 60394
SMILES:C12CCC(CO)=CC1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 60395
SMILES:C1CC(=C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.089
InChIKey:MXHIJQHAYHJSTF-UHFFFAOYSA-N
ID: 60396
SMILES:OC1C2C(C)(C)CCCC2(C)Oc2c(C=O)c(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.702
InChIKey:VZTGESYEZDCALS-UHFFFAOYSA-N