ID: 66697
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)(C=O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -15.12
InChIKey:VOKBQOKOSBAIRQ-UHFFFAOYSA-N
ID: 66698
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1OC(C)(CC1)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.035
InChIKey:KVJRBFARBLZXFW-UHFFFAOYSA-N
ID: 66699
SMILES:C12c3c(O)cc(CCCCC)cc3OC3(C(C)(O)C)CCC(O)(C)C(C1)C23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 374.521
CB1 binding score: -14.387
InChIKey:NWLFLRRCPKEVNL-UHFFFAOYSA-N
ID: 66700
SMILES:C(=CCc1c(OC)cc(O)c2c1OC(C)(C)C1CCC(C)=CC12)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.591
InChIKey:HZGJGYLHBYJMKM-UHFFFAOYSA-N
ID: 66701
SMILES:C(=CC1c2c(O)cc(CCCCC)cc2OC(C)(C)C1=O)C(C)(O)C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.178
InChIKey:PEKGANQHSAQTRK-UHFFFAOYSA-N
ID: 66702
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(O)(C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.298
InChIKey:TZGCTXUTNDNTTE-UHFFFAOYSA-N
ID: 66703
SMILES:CC(C1CC=CCC12C(=O)c1c(O)cc(CCCCC)cc1O2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.211
InChIKey:XZYFRIFEZDFPSK-UHFFFAOYSA-N
ID: 66704
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CC(=CCc1c(O)cc(O)cc1C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.63
CB1 binding score: -16.491
InChIKey:QQRVRYVCDCXKHK-UHFFFAOYSA-N
ID: 66705
SMILES:C(C)(C)=CCCC(C)=CCc1cc(O)cc(CCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.432
CB1 binding score: -17.917
InChIKey:BYYZHJIATPYDTN-UHFFFAOYSA-N
ID: 66706
SMILES:CC1(OC)c2c(cc(C)c(O)c2)-c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.358
InChIKey:IRDGMPFOCIMLPZ-UHFFFAOYSA-N
ID: 66707
SMILES:CCCCCCc1cc2c(c(OC)c1)C1C(CC=C(C)CCC=C(C)CC2)C(=O)C1=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.691
CB1 binding score: -14.434
InChIKey:JSLYURPQIGSDMV-UHFFFAOYSA-N
ID: 66708
SMILES:C12(O)C(C)CCC3=C(C)CC1c1c(O)cc(CC)cc1OC(C)(C)C23
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.372
InChIKey:OMIUULGQQRYPGY-UHFFFAOYSA-N
ID: 66709
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(OC)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.771
InChIKey:NUDQDNWIMDAJAE-UHFFFAOYSA-N
ID: 66710
SMILES:C(c1cc2c(c(OC)c1)C=CC(C)(C)O2)CCC(=O)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -15.12
InChIKey:XPYBGFIDWRUHCT-UHFFFAOYSA-N
ID: 66711
SMILES:C=C(C12CCC(C)=CC1c1c(cc(CCC)c(C(O)=O)c1O)OC2OC)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.617
InChIKey:CQAWMRQFHQIJCL-UHFFFAOYSA-N
ID: 66712
SMILES:C(CC(C(Cl)Cc1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1)=O)(C)C(CCC(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 475.069
CB1 binding score: Not available
InChIKey:MDAGYYGCTIALRW-UHFFFAOYSA-N
ID: 66713
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1CC(C)CCC1=C(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -13.724
InChIKey:LGGHLJHRHADAOG-UHFFFAOYSA-N
ID: 66714
SMILES:c1(C(OC(C)=O)C(C)C)cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)C(=O)C1OCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -15.642
InChIKey:UFEPIZGPSFJYFH-UHFFFAOYSA-N
ID: 66715
SMILES:C(CCC)CCCCCCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.62
CB1 binding score: -15.923
InChIKey:YLTIULBOFBQXFR-UHFFFAOYSA-N
ID: 66716
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 66717
SMILES:COc1cc(O)cc(C(CCCCC)OC(=O)C23C(CCC2C)C3(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.925
InChIKey:JKULIKXBLOFTIV-UHFFFAOYSA-N