ID: 50947
SMILES:C(C)(=CCCC(=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N
ID: 50948
SMILES:CC12CC(c3c(O)cc(CCCC)cc3O1)C(C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.463
InChIKey:WTOTZGIHOHQVNA-UHFFFAOYSA-N
ID: 50949
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C2C1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -14.117
InChIKey:ZXFZOALMZYZUSS-UHFFFAOYSA-N
ID: 50950
SMILES:C1CC(C)(C)C(c2c(O)ccc(CCCCCC)c2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -13.954
InChIKey:CPPBSYVKDACFRM-UHFFFAOYSA-N
ID: 50951
SMILES:c1(CCCC)cc2c(c(O)c1)C1CC(=C)CCC1(O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.12
InChIKey:XSNNIJFOWKKEKE-UHFFFAOYSA-N
ID: 50952
SMILES:C(NCc1ccccc1)C1(C(CCC)CC(=O)O)C(C(OC)=O)c2c(O)cc(C)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 441.524
CB1 binding score: -16.891
InChIKey:SWYMJQWCGQRHGC-UHFFFAOYSA-N
ID: 50953
SMILES:Oc1cc(O)cc(CCC(=O)C=C2C(=O)C3(C)CCC2C(C)(C)O3)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -16.277
InChIKey:WWYOMAOZQGBVQD-UHFFFAOYSA-N
ID: 50954
SMILES:C(CCC)CCCC(=O)OCC1=CC2C(CC1)C(C)(C)Oc1cc(C)c(C=O)c(O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 442.596
CB1 binding score: -13.584
InChIKey:WJSBGIJXCBJPHI-UHFFFAOYSA-N
ID: 50955
SMILES:O=C(O)CC1C(C)(COc2cc(CCCCC)cc3c2OC(C)(C)C3C)OC(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -15.532
InChIKey:ALTJBPVQGIJSNY-UHFFFAOYSA-N
ID: 50956
SMILES:c1(OC)cc2c(cc1CCCCC)OC(C)(C)C1CC3C(CC1(C)C=C2)C(C)=CC(=O)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.636
CB1 binding score: -14.203
InChIKey:DYEUUTTXJIAWAY-UHFFFAOYSA-N
ID: 50957
SMILES:C1(=O)C(=CC(CC(CC)C)=O)CC(c2c(O)cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -14.793
InChIKey:CWPFBBSSJRLGFV-UHFFFAOYSA-N
ID: 50958
SMILES:c1ccc(-c2c(=O)oc(C3C=C(C)CCC3C(CCC=C(C)C)=C)c(CCCCC)n2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 445.647
CB1 binding score: -16.046
InChIKey:FIDYCDNKRVPKCT-UHFFFAOYSA-N
ID: 50959
SMILES:O(C)c1c(CCCCC)cc(O)c2c1OC(CCC=C(C)C)(C)C1CCC(=C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -17.83
InChIKey:SGWZZCQOSZBVJS-UHFFFAOYSA-N
ID: 50960
SMILES:C1CC(CO)OC2C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -9.926
InChIKey:OPLUUTFFBGAFAS-UHFFFAOYSA-N
ID: 50961
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 50962
SMILES:CC(c1cc2c(c(OC)c1OCCCCCC)C1C(C(C)(CCC=C(C)C)C2)C(=O)O1)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -12.993
InChIKey:RXWNNSGRFOGDQP-UHFFFAOYSA-N
ID: 50963
SMILES:O(c1cc(C)ccc1C1(C)CCC(C)(O)C(C)O1)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -14.312
InChIKey:GLMWBIMPKFUNER-UHFFFAOYSA-N
ID: 50964
SMILES:C1CC(C(=C)C)C(c2c(O)cc(CCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 50965
SMILES:C(C(O)C(O)=CC(c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)=O)CCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -11.963
InChIKey:KPQWXPJIKYHYSX-UHFFFAOYSA-N
ID: 50966
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1(O)C(CC=C(C)C1CC=C(C)CCC=C(C)C)C(O)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.705
CB1 binding score: -16.172
InChIKey:PTSYUKHDQMDASV-UHFFFAOYSA-N
ID: 50967
SMILES:c1(C(=O)CCC)ccc(O)c2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -14.875
InChIKey:RWSYIUKJSNVENM-UHFFFAOYSA-N