ID: 50023
SMILES:C12(c3c(cc(CCCCCO)cc3OC)O1)C1(C)C(O)(CC2)C(C)(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -15.262
InChIKey:SPPLQMKJCZOPDQ-UHFFFAOYSA-N
ID: 50024
SMILES:C(C=C(CC(=O)C=C(C)C)C)c1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 374.477
CB1 binding score: -17.854
InChIKey:QZSBEPASIIIAGQ-UHFFFAOYSA-N
ID: 50025
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2c1cc(O)cc2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -17.593
InChIKey:UNOQCTWVPMOBTA-UHFFFAOYSA-N
ID: 50026
SMILES:C1(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 50027
SMILES:C(CCCc1ccc(C2C=C(C)CCC2C(C)=C)c(O)c1)C=Cc1cc(OC)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.604
CB1 binding score: -14.749
InChIKey:NXAYZZOPZNSLJV-UHFFFAOYSA-N
ID: 50028
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 50029
SMILES:C1C(C)(C=C)Oc2c(c(O)cc(CCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -13.438
InChIKey:CCDJTYIOKAQXGO-UHFFFAOYSA-N
ID: 50030
SMILES:c12c(O)cc(CCCCC)cc1OC1(C)CCC3C(C(C)C)CCC3(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -18.113
InChIKey:HVMZPRYUPZXZDY-UHFFFAOYSA-N
ID: 50031
SMILES:C(C=C(C)C)c1c(C2(C)OC(C)(C)CCC2)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.566
CB1 binding score: -15.982
InChIKey:GHSFXHGGMOLBRT-UHFFFAOYSA-N
ID: 50032
SMILES:OC(=O)CCC(O)c1cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(CO)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.422
CB1 binding score: -16.502
InChIKey:GJIOBSNKNXLJRU-UHFFFAOYSA-N
ID: 50033
SMILES:CC1=CC2c3c(cc(CCCCC)c(C(=O)OC)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -18.882
InChIKey:PZGQMCZVNQZFFP-UHFFFAOYSA-N
ID: 50034
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC2(C)OC2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.608
InChIKey:DIZIBWOZVJVYLY-UHFFFAOYSA-N
ID: 50035
SMILES:CC12C=CC(C)C(C)(Cc3c(O)c(C(OC)=O)c(CCCCC)cc3O)C1CCC=C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -16.645
InChIKey:GCKYXQSKLFINCG-UHFFFAOYSA-N
ID: 50036
SMILES:c12c(c(CC=C(C)C)ccc1CCCCC)OC(C(C)(O)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -12.687
InChIKey:UIQIGMKVAQIETJ-UHFFFAOYSA-N
ID: 50037
SMILES:C(C(N)C(=O)O)C(NC(=O)COc1c(CCCCC)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.679
CB1 binding score: -14.924
InChIKey:ITQNJFXURAWCEO-UHFFFAOYSA-N
ID: 50038
SMILES:C1(C)(C)Oc2c(c(OC)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 50039
SMILES:c1(C(CC)C)cc2c(c(O)c1)C1C(CCC(=C)C2)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.388
InChIKey:VOBMXFNONVHOHK-UHFFFAOYSA-N
ID: 50040
SMILES:C1C2C(C)(OCC2C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -18.651
InChIKey:ACBZSAOYIMELFI-UHFFFAOYSA-N
ID: 50041
SMILES:c1(C(O)CO)c(C)c2c(cc1CO)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -16.072
InChIKey:FIJPVCVGBYIMJK-UHFFFAOYSA-N
ID: 50042
SMILES:CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 50043
SMILES:C(C)Cc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N