ID: 23752
SMILES:c12c(O)c(C(CCCCCCC)OC(=O)C=Cc3ccc(O)c(OC)c3)ccc1OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.72
CB1 binding score: -16.151
InChIKey:RMXGTFGTQUIHEJ-UHFFFAOYSA-N
ID: 23753
SMILES:C(CCCCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 348.483
CB1 binding score: -14.484
InChIKey:KZRGZOIVKSSZFR-UHFFFAOYSA-N
ID: 23754
SMILES:C1(O)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.591
InChIKey:OVHFHEVGQCQVBX-UHFFFAOYSA-N
ID: 23755
SMILES:CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 23756
SMILES:O1C(C(C)=CC(CC(=CCc2c(OC)c(C)cc(OC)c2)C)C)(C)CC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -19.503
InChIKey:TZOFKFBWWULLNF-UHFFFAOYSA-N
ID: 23757
SMILES:C1(C)C(CO)(O)C2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -15.969
InChIKey:RKHYAIZMPQFWJM-UHFFFAOYSA-N
ID: 23758
SMILES:C12(C)C(=O)C(C(C)=CC1c1c(O)cc(CCCC)cc1O)C=C(C)CCC2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -14.336
InChIKey:DXPJDUMYQVCJOL-UHFFFAOYSA-N
ID: 23759
SMILES:C(C1C2C(OC(C)(C)C(=O)C2)c2c(OC)cc(CCC(CC(OC)=O)C)cc2O1)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.584
CB1 binding score: Not available
InChIKey:WSSXADZALJVWAP-UHFFFAOYSA-N
ID: 23760
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1O)CCC=C(CCC=C(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: 23761
SMILES:c12c(ccc(C)c1)C(C)(C)Oc1c-2cc(C(CCC)O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -17.61
InChIKey:FORYBYOUERCZHL-UHFFFAOYSA-N
ID: 23762
SMILES:C(C)CCc1cc(O)c2c3c1OC(C)(C)C1CCC(C)(C=C3C2=O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -16.254
InChIKey:CPXDHSDMPXIPOU-UHFFFAOYSA-N
ID: 23763
SMILES:c1(O)cc(CCCC)cc2c1-c1cc(C)ccc1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -19.327
InChIKey:GGVVJZIANMUEJO-UHFFFAOYSA-N
ID: 23764
SMILES:O=C(OC)C1=CC2C(C(C)(C)Oc3c(C)cc(O)c(C(C)=C)c32)CC1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -16.274
InChIKey:VCYICENPTMBOBJ-UHFFFAOYSA-N
ID: 23765
SMILES:CC(=CCCC(=CCCC(C(C)(CCc1cc(O)cc(O)c1)O)C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -12.209
InChIKey:BUDKCPPEMIFNNJ-UHFFFAOYSA-N
ID: 23766
SMILES:c1(-c2c(O)c3c(cc2O)OC(C)(C)C2C3C=C(C)CC2)c(O)c(CC=C(CCC=C(C)C)C)c(OC2OC(CO)C(OC(=O)C)C(OC(=O)C)C2OC(=O)CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 836.972
CB1 binding score: -15.716
InChIKey:KYJLPOKLYYMUJA-UHFFFAOYSA-N
ID: 23767
SMILES:CC1(C=CC=C(C)C)Oc2c(c(O)cc(CCCCC)c2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.468
InChIKey:DUPUZVDLZMSQFG-UHFFFAOYSA-N
ID: 23768
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1C2CC(C)(C(O)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.191
InChIKey:UZTCWONBSYKVCG-UHFFFAOYSA-N
ID: 23769
SMILES:C(CC)CCc1cc(O)cc(O)c1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.891
InChIKey:JFJAMLJGMDJCRJ-UHFFFAOYSA-N
ID: 23770
SMILES:CC(C)=CCCC(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 23771
SMILES:C12=C(CCC1(C)O)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.479
InChIKey:BYSLKERZUKBJHV-UHFFFAOYSA-N
ID: 23772
SMILES:C(CC=O)Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -19.103
InChIKey:ZIKPXWUDKOXYDN-UHFFFAOYSA-N