ID: 112939
SMILES:CC1(C)C2CC(O)C(C)=CC2c2c(O)cc(-c3cc(OC)c(OC)c(CCCCC)c3)c(C=O)c2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.628
CB1 binding score: -16.656
InChIKey:PYKTYILKMSQKEW-UHFFFAOYSA-N
ID: 112940
SMILES:Oc1c(C2C(C(C)=C)CCC(C(=O)O)=C2)c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.502
InChIKey:GOLIQFLMRYCGTF-UHFFFAOYSA-N
ID: 112941
SMILES:CC1(C)Oc2c(cc(O)c(OC)c2)C2C1CC=C(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.716
InChIKey:HINHHDLHKOVMSS-UHFFFAOYSA-N
ID: 112942
SMILES:c1c(C)c(Br)c2c(c1)-c1c(cc(CCCCC)cc1OC(=O)C)CC(CCC=C(C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 513.516
CB1 binding score: -15.293
InChIKey:UOLIWMYPCDTXJV-UHFFFAOYSA-N
ID: 112943
SMILES:CC(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C=C21)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.116
InChIKey:SITGTQNYGOMUGA-UHFFFAOYSA-N
ID: 112944
SMILES:c1(OC)c(O)c2c(cc1CCCCC)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.792
InChIKey:VDKAKXBXSAFIMF-UHFFFAOYSA-N
ID: 112945
SMILES:c1c(CCCO)ccc(C2C=C(CO)CCC2C(C)=C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -15.593
InChIKey:GGSMHGTWWIGUMG-UHFFFAOYSA-N
ID: 112946
SMILES:CC(=CC1c2c(cc(CCCCC)cc2O)OC1C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.502
InChIKey:ZLFZYCGASKULAB-UHFFFAOYSA-N
ID: 112947
SMILES:C(C=C(CCC=C(C)C)C)c1c(O)cc(CCCCC)cc1OC1(C)CCC=C(C)CCC2OC2(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.814
CB1 binding score: -18.185
InChIKey:SDTNPGWPHMEYPN-UHFFFAOYSA-N
ID: 112948
SMILES:C(Cc1c(O)c(C2C=C(C)CCC2C(C)=C)cc(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.559
InChIKey:UNKCBUFGTIWVPT-UHFFFAOYSA-N
ID: 112949
SMILES:CC1=CC2C(C(C)(C)Oc3c2ccc(C)c3)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.155
InChIKey:MXSWDTMEPHWSDH-UHFFFAOYSA-N
ID: 112950
SMILES:C(Cc1cc2c(c(O)c1)C1C3C(CCC3(C)C)C=C1C(=O)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -11.799
InChIKey:WZKCZZIKTDCMJX-UHFFFAOYSA-N
ID: 112951
SMILES:CC(C1CCC(C)=CC1=O)=CCc1cc(O)c2c(c1)OC(C)(C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.447
CB1 binding score: -14.904
InChIKey:RUJQMYKNONNXAM-UHFFFAOYSA-N
ID: 112952
SMILES:C1(C)C23C(=C(C)C(C2)C3)C2C(C(C)(C)Oc3cc(CCCCC)cc(OC)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -15.575
InChIKey:UVOKBUVFNLERBK-UHFFFAOYSA-N
ID: 112953
SMILES:O=C(CC(C#Cc1c(O)c2c(cc1CCCCC)OC(CCC=C(C)C)(C)C=C2)OC)c1cc(O)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.677
CB1 binding score: -16.2
InChIKey:SHVICYWVXJGUPU-UHFFFAOYSA-N
ID: 112954
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(CO)C(=O)CCC1C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.605
InChIKey:OOOOPBVMSKROEC-UHFFFAOYSA-N
ID: 112955
SMILES:O=C(C)OC1CC2C(C)(C)Oc3cc(C)cc(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.527
InChIKey:YVROCDBNRUAEDW-UHFFFAOYSA-N
ID: 112956
SMILES:C1CCC(C)(C)C2C1c1c(O)cc(CCCCC)cc1OC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.519
InChIKey:PIOOZSQHXQMUFG-UHFFFAOYSA-N
ID: 112957
SMILES:C1CC(=O)OC(C)(C)C1(O)CCC(C)(O)C=CCC1(C)C=Cc2cc(O)cc(C)c2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -14.707
InChIKey:MKIYMEDUVMRYKQ-UHFFFAOYSA-N
ID: 112958
SMILES:Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 112959
SMILES:CCCCCc1c(O)cc(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.048
InChIKey:FUZJMTMPVZRGQF-UHFFFAOYSA-N