ID: 30514
SMILES:Oc1c(C(C(O)=O)C)cc(O)c2c1OC(C)(C)C1C2C=C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -12.246
InChIKey:DFSMXXQOPYCXLH-UHFFFAOYSA-N
ID: 30515
SMILES:c1(O)c2c(cc(CCCCC)c1)oc(=O)c(C(=O)CC1C3(C)C(C(O)CC1(C)C)O2)c3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: -14.306
InChIKey:BHQKCRXSHARFRW-UHFFFAOYSA-N
ID: 30516
SMILES:C(C)(=C)C1C(c2c(O)cc(O)cc2CCCCC)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.381
InChIKey:KFIVQYIWAORLRU-UHFFFAOYSA-N
ID: 30517
SMILES:C(C1C(O)C(O)C(O)C(OC2C(C)(C)Oc3c(c(O)cc(CCCCCC)c3)C2C=C(C)C)O1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.625
CB1 binding score: -16.022
InChIKey:RHUJLZOVBMIQDD-UHFFFAOYSA-N
ID: 30518
SMILES:C(=CCCC1(C)CCc2c(c(C(O)=O)c(CCCCC)cc2O)O1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.033
InChIKey:LFQXDELXRZIEQO-UHFFFAOYSA-N
ID: 30519
SMILES:C(C(C(c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCC)CC=C(C)C)C(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.828
InChIKey:WNAZISBIDOTCKA-UHFFFAOYSA-N
ID: 30520
SMILES:c1(O)cc(CCCCC(=O)O)cc2c1C1C(CCC(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.414
InChIKey:SHCDJZUCHADQDQ-UHFFFAOYSA-N
ID: 30521
SMILES:Cc1c2c(cc(O)c1OC)C1Cc3c(O)cc(CCCCC)cc3OC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -12.457
InChIKey:DWFQUBVTTPAGRG-UHFFFAOYSA-N
ID: 30522
SMILES:C12c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C1)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.116
InChIKey:MTDDVGYCTNYKBU-UHFFFAOYSA-N
ID: 30523
SMILES:C(c1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 30524
SMILES:c1(CCCCC)cc2c(c(O)c1C(OC)=O)C1C(C(=C)C)CCC(C)(O)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.869
InChIKey:ZXRJRQBOVPOZJL-UHFFFAOYSA-N
ID: 30525
SMILES:C1C2C1C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.422
InChIKey:IPOLTRPBNBXNCM-UHFFFAOYSA-N
ID: 30526
SMILES:C12c3c(cc(CCCCC)c(C=O)c3O)OC(C)(C)C1C=CC(C)(OCC=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -13.196
InChIKey:JOBXCIFFBULBKU-UHFFFAOYSA-N
ID: 30527
SMILES:OC1C=C(C)CC2c3c(O)cc(C)cc3OC(C)(CCC=C(C)C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 342.479
CB1 binding score: -15.334
InChIKey:QTFRYTMNIYVMGO-UHFFFAOYSA-N
ID: 30528
SMILES:c1(CCc2cc(CC(=C(CCC=C(C)C)C)C)c(O)cc2)cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.766
CB1 binding score: -15.248
InChIKey:NHXGIJAFXUADBY-UHFFFAOYSA-N
ID: 30529
SMILES:C(C1C(=O)OC2C3C(C)(CC21)Oc1cc(CCCCC)cc(O)c13)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -13.162
InChIKey:FFIGHQJRMZGKGW-UHFFFAOYSA-N
ID: 30530
SMILES:c1(CCC)cc(O)c(CC2(C)C(C)=CC(O)C3(C)C(C)=CCCC23)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -16.239
InChIKey:IMTAFWZORLTGLQ-UHFFFAOYSA-N
ID: 30531
SMILES:C1C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)C=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.432
InChIKey:DGJNAIURHMWAFB-UHFFFAOYSA-N
ID: 30532
SMILES:C(CCCCc1cc2c(c(OC)c1)OC1(C3(C)CCC(C)=C(C)C3CCC1C)C2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.642
CB1 binding score: -16.769
InChIKey:GHIYTCXXUCWTSK-UHFFFAOYSA-N
ID: 30533
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 30534
SMILES:CCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(C=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.944
InChIKey:AYCHZYLKAXBIIG-UHFFFAOYSA-N