ID: 95782
SMILES:c1cc(CCCCC)cc2c1C1C(CCC(C)(O)C1O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.019
InChIKey:OUAVHDGMKIDTND-UHFFFAOYSA-N
ID: 95783
SMILES:C1(C)=CCC2(CC1=O)c1c(O)cc(CCCC(C)O)cc1OC2(CCC=C(CCC=C(C)C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.689
CB1 binding score: -16.216
InChIKey:PWJOROLGGRGYEX-UHFFFAOYSA-N
ID: 95784
SMILES:CC(C)CCCC(c1cc(O)c2c(c1)OC(C)(C)C1C2C(=O)C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -14.679
InChIKey:QFZZBDLNFHDVGM-UHFFFAOYSA-N
ID: 95785
SMILES:CC1(C)C2Cc3ccc(CCCCCCC)cc3CC2C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.204
InChIKey:WQFCZJQQAZMXMC-UHFFFAOYSA-N
ID: 95786
SMILES:C(C)(=C)C(OC(=O)C)CCC(C)=CCc1c(OC)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.357
InChIKey:AHUMSMCTYPFESF-UHFFFAOYSA-N
ID: 95787
SMILES:C1(c2c(O)c(C(O)=O)c(CCCCC)cc2O)OC(C)(C)C2CCC(O)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -14.995
InChIKey:RVNJVGNYMYDJGV-UHFFFAOYSA-N
ID: 95788
SMILES:C12(C)CC(C(OC)=O)(c3c(cc(CCCCC)cc3OC)O1)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.543
InChIKey:LSDMMRQMMOOIRL-UHFFFAOYSA-N
ID: 95789
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1(C)C(C3C(C)(O)CCC(C(C)=C)C3C1)CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -15.22
InChIKey:JPPQVUFPGAMBGA-UHFFFAOYSA-N
ID: 95790
SMILES:CCCCCCCCc1c(C(O)=O)c(O)cc2c1CC(O)C(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -11.683
InChIKey:UDXNGOXWPNPGQC-UHFFFAOYSA-N
ID: 95791
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C)(C)OC23OC(C)(C)C=C13)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -16.793
InChIKey:CQSTYWORECNJQE-UHFFFAOYSA-N
ID: 95792
SMILES:C1C2(C(=O)C3C(C(C)(C)Oc4cc(CCCCC)cc(O)c43)C2)C(C)C2(C)C=C3C(=O)OCC3(C)C12O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.655
CB1 binding score: -15.709
InChIKey:HJTSOBPFTYJASA-UHFFFAOYSA-N
ID: 95793
SMILES:C(CC)CC1=C(O)C(CC2(C)C3C(=O)C4CC(C)(C4CC3=O)O2)(C)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.288
InChIKey:GZJHGKQUZSICGI-UHFFFAOYSA-N
ID: 95794
SMILES:O=c1c(OC)c2c(cc(O)c1CC=C(CCC=C(C)C)C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -15.338
InChIKey:OTIJILRZDHWARW-UHFFFAOYSA-N
ID: 95795
SMILES:COc1c(C)cc2c(c1)C=CC(CCC(C(C)C)=O)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.043
InChIKey:BJCLVWJVCXRCGO-UHFFFAOYSA-N
ID: 95796
SMILES:CC1(C)C2C(C)(CCC1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.783
InChIKey:KPTGTVLDBMVBEX-UHFFFAOYSA-N
ID: 95797
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 95798
SMILES:C(C)(=CCOc1c(OC(C)=O)cc(CCCCC)cc1OC)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -16.792
InChIKey:JTMGEDWVBXPQPF-UHFFFAOYSA-N
ID: 95799
SMILES:C1C(C(=C)C)C2CC(C)(C1OC(C)=O)Oc1cc(C(OC)=O)c(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -13.597
InChIKey:LEEOTBGEXLKIQX-UHFFFAOYSA-N
ID: 95800
SMILES:Oc1c(CCCC)cc(O)cc1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.19
InChIKey:JLDQAMHHOUWHJX-UHFFFAOYSA-N
ID: 95801
SMILES:CC(=CC)C(=O)Oc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -12.737
InChIKey:YWNNJBRCUNSXOQ-UHFFFAOYSA-N
ID: 95802
SMILES:c1c(C)ccc2c1-c1c(cc(CCCCC)c(C(=O)O)c1O)OC(C)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -14.125
InChIKey:IDOOGIPTWLUVPP-UHFFFAOYSA-N