ID: 65059
SMILES:O1C(=O)C2(C3CCC(OC)C(=O)C3(c3c(cc(CCCCC)cc3O)O2)CCC(C)=CC1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -15.929
InChIKey:RSPNGUUPYZYENO-UHFFFAOYSA-N
ID: 65060
SMILES:CC1(C)C2CCC3(Oc4c(c(O)cc(CCC)c4)C3)C1CC=C2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -14.744
InChIKey:LISQLMRLTUEEMO-UHFFFAOYSA-N
ID: 65061
SMILES:O=C(O)C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.22
InChIKey:YMJIWLISPPJNTG-UHFFFAOYSA-N
ID: 65062
SMILES:C1C2(C(C)=CC(=O)C(=C)C2(C)C)Oc2c(cc(CCCCC)cc2O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: Not available
InChIKey:HJFGMSRPILIEQX-UHFFFAOYSA-N
ID: 65063
SMILES:C(CCCC)c1ccc2c(c1O)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.141
InChIKey:XFSLHYHFWBPGED-UHFFFAOYSA-N
ID: 65064
SMILES:CC1(C)CCCC1(c1c(C(OC)=O)cc(CCCCCC)cc1OC(CCC)=O)C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.584
CB1 binding score: -15.904
InChIKey:KJSXNIWFRDRLHY-UHFFFAOYSA-N
ID: 65065
SMILES:C1(C)(C)Oc2c(c(O)cc(CCc3ccccc3)c2)C2C=C(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.486
CB1 binding score: -19.258
InChIKey:DYHMKBLKWFFFSZ-UHFFFAOYSA-N
ID: 65066
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 65067
SMILES:CC(C)=CCc1cc(C(O)=O)cc2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 340.463
CB1 binding score: -18.289
InChIKey:IQAPGOHUQMLSCW-UHFFFAOYSA-N
ID: 65068
SMILES:C(c1c(O)cc(CCCCC)cc1O)C=C(C)CC=CC(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.579
InChIKey:CJLAIIYOHPCHDP-UHFFFAOYSA-N
ID: 65069
SMILES:C(CCCCCCCc1ccc2c(c1O)OC(C)(C)C1C2CC(C)=CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -13.821
InChIKey:IRBZMNDTBGOTQL-UHFFFAOYSA-N
ID: 65070
SMILES:c1(O)c(C(C(C)CC)=O)c2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.604
InChIKey:VWTHNNZUPUPSLT-UHFFFAOYSA-N
ID: 65071
SMILES:C1(C)(CCC=C(C)C)C(O)Cc2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 65072
SMILES:C1(C)(C)C2CCC3(C)Oc4c(c(O)c(C(=O)O)c(CCCCC)c4)C3C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -12.618
InChIKey:XHKKSPXDLIWXLU-UHFFFAOYSA-N
ID: 65073
SMILES:c1(-c2ccc3c(c2)CC2(C4(C)C(C)(C(=C)CC4)C2)C(C)(C)O3)ccc(CCCCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.66
CB1 binding score: -15.006
InChIKey:RFDVPFYOIYGDMK-UHFFFAOYSA-N
ID: 65074
SMILES:O1c2cc(CCCCC)cc(O)c2C2C3C(CCC1(C)O3)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.828
InChIKey:XKPTZLRNZKMMRA-UHFFFAOYSA-N
ID: 65075
SMILES:COc1c2c(cc(C)c1)OC(CCCC(C)C)(C)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.447
CB1 binding score: -15.15
InChIKey:XVLZTCQTMMCFCU-UHFFFAOYSA-N
ID: 65076
SMILES:c1(O)c(CC=C(CCC=C(C)C)C)c(O)c(C(=O)O)c2c(O)cc(CCCCC)cc12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -13.14
InChIKey:DQTZFLDRTSORCU-UHFFFAOYSA-N
ID: 65077
SMILES:C=C1C2CC(C)(C)C2CCC2(C)Oc3c(c(O)c(C=O)c(CCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.686
InChIKey:WJOGKXQWLQKRMM-UHFFFAOYSA-N
ID: 65078
SMILES:c1c2c(c(C(CC)=O)cc1C)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -15.769
InChIKey:HQYYUTNNKXOQIA-UHFFFAOYSA-N
ID: 65079
SMILES:C(CCC)c1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N