ID: 87697
SMILES:c1(C)c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.54
CB1 binding score: -15.831
InChIKey:YRUGHPADVABHFA-UHFFFAOYSA-N
ID: 87698
SMILES:C1(=O)C(=C)CCC(C(C)C)C1c1c(O)cc(CCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.823
InChIKey:JXEZZCPXRZSNQG-UHFFFAOYSA-N
ID: 87699
SMILES:c1(C)cc(O)c2c(c1)OC(CO)(C)C1CCC(CO)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -14.843
InChIKey:ZGZWPFMZPADSIV-UHFFFAOYSA-N
ID: 87700
SMILES:c12c(c(OC)c(CCCCC)cc1O)OC(C)(CCC=C(C)CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -16.093
InChIKey:WSCFIAQSMCPZTC-UHFFFAOYSA-N
ID: 87701
SMILES:CC(=CCc1c(OC)cc(CCCCC)c(C(=O)O)c1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -19.037
InChIKey:VAFRUJRAAHLCFZ-UHFFFAOYSA-N
ID: 87702
SMILES:C(Cc1c(O)c2c(c(C(O)C(C)CC)c1O)OC1(C)CCC(C(C)C)C2C1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.645
CB1 binding score: -12.718
InChIKey:WIZIYGUSDRUNRB-UHFFFAOYSA-N
ID: 87703
SMILES:C(=C(C)CO)C#CC(C)=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -13.024
InChIKey:KFTKEBHNGOOXIX-UHFFFAOYSA-N
ID: 87704
SMILES:c1(CCCCC)cc(O)c2c(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: 87705
SMILES:C1C2C(C)CC=C2C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.346
InChIKey:UOSUIHXLUAJQTP-UHFFFAOYSA-N
ID: 87706
SMILES:C(C)(CC(O)C=C(C)C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.677
InChIKey:FYUMLDZFQYVKKK-UHFFFAOYSA-N
ID: 87707
SMILES:C(CCCCCC)Cc1cc2c(c(O)c1)CC1C(C)(O2)C(C)CO1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -12.028
InChIKey:UGITUYOBZOYJDJ-UHFFFAOYSA-N
ID: 87708
SMILES:C1(C)(C)C2C(CC(O)(C)CC2)c2c(O)cc(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -19.509
InChIKey:XAJXLANJASZEBB-UHFFFAOYSA-N
ID: 87709
SMILES:CC(C)CCCc1cc2c(c(O)c1Cl)C1CC(C)(O2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.849
CB1 binding score: -14.783
InChIKey:LAOGSWPADWRQCB-UHFFFAOYSA-N
ID: 87710
SMILES:CC(CCC=C(C)C)CCC1(C)Oc2c(OC)cc(CCCCC)cc2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.619
CB1 binding score: -16.43
InChIKey:YTOWRKSDLFXEGN-UHFFFAOYSA-N
ID: 87711
SMILES:C1(C(C)(O)C)Oc2cc(CCCC)c(C(OC)=O)c(O)c2CC(O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.427
CB1 binding score: -14.166
InChIKey:BOKOAMIKTDNFDM-UHFFFAOYSA-N
ID: 87712
SMILES:C1C2(C)Oc3c(c(OC)cc(CCCCCC)c3)C3C2C(C)(CC=C3C(C)C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -15.074
InChIKey:QFORKNXKTOTLGB-UHFFFAOYSA-N
ID: 87713
SMILES:CC(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 87714
SMILES:C(CCCC(=O)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C(=O)OC)CC1)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.715
CB1 binding score: -15.836
InChIKey:YYBMHJWCMISBHJ-UHFFFAOYSA-N
ID: 87715
SMILES:C(CC)CCc1cc(O)c(CC=C(C)CCC=C(C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 87716
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 87717
SMILES:c12c(c(O)cc(CCCCC)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N