ID: 16738
SMILES:C1CCC2(C)c3c(O)cc(CCCCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.895
InChIKey:IURVSOIKWDDGMH-UHFFFAOYSA-N
ID: 16739
SMILES:C(C)(=CCCC(=CCc1c(O)c(C(O)=O)c(CCCCC)cc1O)CO)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -15.427
InChIKey:LCEPPSQEAABZSW-UHFFFAOYSA-N
ID: 16740
SMILES:C(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CCOC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.286
InChIKey:OKHLVGGAJSZHOI-UHFFFAOYSA-N
ID: 16741
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C(O)C1OC1C(O)C(O)C(C(CO)O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.478
CB1 binding score: -15.526
InChIKey:GDZGTEVWZRTRBT-UHFFFAOYSA-N
ID: 16742
SMILES:C(C(=O)CC(C)C)C(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.453
InChIKey:WLURLOGOXWMPGA-UHFFFAOYSA-N
ID: 16743
SMILES:C(C)(C)=CCCC(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 16744
SMILES:OC(=O)CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 318.413
CB1 binding score: -18.016
InChIKey:OVJKPQKAIHSVBC-UHFFFAOYSA-N
ID: 16745
SMILES:CC1C(C)c2c(cc(CCCCC)cc2O)OC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -16.231
InChIKey:ABZBJWNASVETIU-UHFFFAOYSA-N
ID: 16746
SMILES:O=C(OC)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -18.882
InChIKey:PZGQMCZVNQZFFP-UHFFFAOYSA-N
ID: 16747
SMILES:C(Cc1ccc(O)cc1)CCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -15.12
InChIKey:RURGPXXYOBPYHL-UHFFFAOYSA-N
ID: 16748
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)C=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -16.537
InChIKey:PMAOHUWFTOOZRP-UHFFFAOYSA-N
ID: 16749
SMILES:CC(C)=CCC1Oc2c(c(O)cc(CCCCC)c2)C2CC(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -11.204
InChIKey:ZXAJAMAINUWXPH-UHFFFAOYSA-N
ID: 16750
SMILES:CCCCCc1c(OCC=C(CCC=C(C)C)C)cc(O)cc1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.323
InChIKey:FOPJPHLCWSQHQS-UHFFFAOYSA-N
ID: 16751
SMILES:c12c(OC)cc3c(c1OC(C)(CCC=C(C)C)C=C2)COC(C)(C)C3O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.921
InChIKey:RYHAOIPVANEOGQ-UHFFFAOYSA-N
ID: 16752
SMILES:C(c1cc(CC=C(CCC=C(C)C)C)c(O)cc1O)CCC
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 302.458
CB1 binding score: -16.664
InChIKey:ICEHRRCMNXEDLK-UHFFFAOYSA-N
ID: 16753
SMILES:C1CC(C)=CC2C1C(C)(C)Oc1cc(CCCCC)c(C(=O)O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 16754
SMILES:C1(C)(C)Oc2cc(O)c(C(=O)O)c(CCCCC)c2C2CC1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -16.322
InChIKey:GQQATIHNPJPSHY-UHFFFAOYSA-N
ID: 16755
SMILES:CC1=CCCC(C)=CCC2C(C)(C)Oc3c(c(O)cc(CCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -16.093
InChIKey:NDOAXJHEXZPCSQ-UHFFFAOYSA-N
ID: 16756
SMILES:C1(C)(CCC=CC)Oc2c(c(O)cc(CCCCC)c2)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -14.713
InChIKey:ZFVKLMZUBWHLEQ-UHFFFAOYSA-N
ID: 16757
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)c1c-2cc(CO)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -17.455
InChIKey:YDKZOUNVEIGJPO-UHFFFAOYSA-N
ID: 16758
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)=C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.828
InChIKey:MHHSSHQFSKAMDO-UHFFFAOYSA-N