ID: 39754
SMILES:CCCCCc1cc2c(c(O)c1)C1C=C(COC(=O)C)CCC3C(CC3C)C1=C(O)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -15.519
InChIKey:OIUHJPPBXYVYBH-UHFFFAOYSA-N
ID: 39755
SMILES:CC1(C)CCCC(=C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -15.708
InChIKey:GHLDZAYHBBUFRR-UHFFFAOYSA-N
ID: 39756
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(CC=C)c(C)c2O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -15.958
InChIKey:PSIIKJXUZFKHJS-UHFFFAOYSA-N
ID: 39757
SMILES:C1(=O)OC2C3C(C)(Oc4cc(CCCCC)cc(O)c41)C(O3)CC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.945
InChIKey:DVLMIBVXRXTFRY-UHFFFAOYSA-N
ID: 39758
SMILES:C1CC(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 39759
SMILES:O=C(OCC1=CC2c3c(cc(C)cc3O)OC(O)(C)C2C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -14.27
InChIKey:BNEOKKFRMCSJMT-UHFFFAOYSA-N
ID: 39760
SMILES:C(CCCC)CCCC(=O)C=Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -12.86
InChIKey:YBYUXNCGYZQYQP-UHFFFAOYSA-N
ID: 39761
SMILES:C1=C(C)C23CC(Cl)C(C)(Cl)CC2c2c(O)cc(CCC)cc2OC(C)(C)C3C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 423.424
CB1 binding score: -14.605
InChIKey:LQPXKXLSNBBMOB-UHFFFAOYSA-N
ID: 39762
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 39763
SMILES:C1C2(Cc3c(OC(=O)C)cc(CCCCC)cc3O2)C(C)(C)C2CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -11.913
InChIKey:JUBOUKXZWDJISN-UHFFFAOYSA-N
ID: 39764
SMILES:C1(C)CC2C(C(C)(C)Oc3cc(CCc4ccccc4)c(O)c(O)c31)CCC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -14.178
InChIKey:HTEKVHUXIVOCOJ-UHFFFAOYSA-N
ID: 39765
SMILES:CC1(C)CCCC2(c3c(OC)cc(CCCCC)cc3OC2=O)C1CCC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -16.254
InChIKey:DGLUHQZYLCIOJR-UHFFFAOYSA-N
ID: 39766
SMILES:O(C)c1c(CC=C(CCC(O)C(O)(C)C)C)cc(O)c(CC=C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -17.706
InChIKey:OCAVYCVMHDBHRO-UHFFFAOYSA-N
ID: 39767
SMILES:COC(C1=CCCC2(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C(O)C2CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.513
CB1 binding score: -15.467
InChIKey:YQNQUVOHYJCHFI-UHFFFAOYSA-N
ID: 39768
SMILES:OC(=O)C1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 39769
SMILES:c1(C)cc(CCC(CC)CCC)c2c(c1)C=CC(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -14.789
InChIKey:GVVKMYQTSLOUOT-UHFFFAOYSA-N
ID: 39770
SMILES:CC(=CCCC(=CCCC(C)(O)C1Oc2cc(CCCCC)c(C(O)=O)c(O)c2)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -15.323
InChIKey:DHEASQXAUTYKLH-UHFFFAOYSA-N
ID: 39771
SMILES:COc1cc(OC)c(O)c2c1C1C(C(C)(C)O2)CC=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -13.786
InChIKey:NQWYWAWJZPDEFP-UHFFFAOYSA-N
ID: 39772
SMILES:C(CC=O)(C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.43
CB1 binding score: -14.041
InChIKey:QIYCSMCNVGEALY-UHFFFAOYSA-N
ID: 39773
SMILES:Clc1ccc(C2(COC(C(CC)C)=O)c3c(cc(C)cc3)OC2(C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.919
CB1 binding score: -13.727
InChIKey:JCEKVCOGONFUFO-UHFFFAOYSA-N
ID: 39774
SMILES:C1(C(=C)C)Cc2c(O)cc(CCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 218.296
CB1 binding score: -17.334
InChIKey:MINNLXKLTZAUST-UHFFFAOYSA-N