ID: 52291
SMILES:COc1c(O)ccc(COc2c(O)c(C=O)c3c(c2)C2C(CCC(C)=C2)C(C)(C)O3)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.493
CB1 binding score: -16.885
InChIKey:WBHMHOVNSZFKTO-UHFFFAOYSA-N
ID: 52292
SMILES:Oc1cc(CCC)cc2c1C1C(C(C)(C)O2)CCC(CO)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.334
InChIKey:BZTCTQCMWCFWBO-UHFFFAOYSA-N
ID: 52293
SMILES:C(Br)C1CC=C(C)CC1c1ccc(CCCCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 335.329
CB1 binding score: -15.003
InChIKey:JUTHIYYKVVUTQM-UHFFFAOYSA-N
ID: 52294
SMILES:C12(Oc3c1c(O)cc(CCCCC)c3)C(CCC1(C)C(C)=CCCC1C)C(C)(O)CCC2C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.733
CB1 binding score: -14.622
InChIKey:LNHJZPGVTNRXSH-UHFFFAOYSA-N
ID: 52295
SMILES:c1(O)c(OC)c(CC=C(C)CCC=C(C)C)c(O)c(C=O)c1Cc1c(CCCCC)cc2c(c1O)CC1C(O)(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 648.881
CB1 binding score: -15.12
InChIKey:SCCFRDBHVDMXKM-UHFFFAOYSA-N
ID: 52296
SMILES:C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 52297
SMILES:C=C(C1C(c2c(OC)ccc(CCN(C)C)c2)C=C(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 52298
SMILES:C(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(O)C(C)=C1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.697
InChIKey:RDLUNEDCJHKYDQ-UHFFFAOYSA-N
ID: 52299
SMILES:CC1=CC(c2c(C)cc(O)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.798
InChIKey:KDZOUSULXZNDJH-UHFFFAOYSA-N
ID: 52300
SMILES:C(CC(CCCC(=CCc1cc(O)cc(C)c1O)C)C)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.162
InChIKey:GVVUQQWWMGBFAL-UHFFFAOYSA-N
ID: 52301
SMILES:O(C(=O)C)C(C)c1c(C)c2c3c(c1)OC(C)(C)C(C=CC(C)(O)C)c3c1c3c(c(OC)cc(O)c3C2C)CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 546.704
CB1 binding score: -15.448
InChIKey:IPOWORJHLONILE-UHFFFAOYSA-N
ID: 52302
SMILES:C1=C2C(C)(Cc3c(O)cc(CCCCC)cc3O2)C2(C)CCCC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -14.357
InChIKey:DBCFNWXUXSCXGH-UHFFFAOYSA-N
ID: 52303
SMILES:C12Oc3c(c(O)cc(CCCCC)c3)C3OC(C)(CCC(C(C)=C)C13)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -12.431
InChIKey:UUTWBPQEYWYHHL-UHFFFAOYSA-N
ID: 52304
SMILES:CC(C)C(=O)C(C)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.378
InChIKey:AXBXNXLGRPJWFQ-UHFFFAOYSA-N
ID: 52305
SMILES:O(c1cc(CCCCC)c(O)c2c1C1C(C(C)(C)O2)CC2C(C)(CCCC2(C)C)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -15.358
InChIKey:KSLUFSZAAGURPH-UHFFFAOYSA-N
ID: 52306
SMILES:C(CCC1C(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21)C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.618
InChIKey:OMTUJPKUGVOWRW-UHFFFAOYSA-N
ID: 52307
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.958
InChIKey:WPDFKBOKUXLBOV-UHFFFAOYSA-N
ID: 52308
SMILES:C(CCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 52309
SMILES:C(CCCC)CCCCCCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.711
CB1 binding score: -16.005
InChIKey:JFGZNCVTMUPOHM-UHFFFAOYSA-N
ID: 52310
SMILES:c1(O)cc(C)cc(O)c1C1C=C(C)CC(C)C1C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.655
InChIKey:JXPMSHVSHYQJSP-UHFFFAOYSA-N
ID: 52311
SMILES:C(CCCC(=O)OCc1c(C(=O)CCCC)cc(OC)c2c1OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: -18.732
InChIKey:OTVRJBUCXGJFRN-UHFFFAOYSA-N