ID: 68902
SMILES:O=C(C)OCC(=CC(=O)CC(=CCc1cc(O)cc2c1OC(C)(C)C1CCC(C)C1=C2)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -15.061
InChIKey:ZCVQGLUKAWTEOW-UHFFFAOYSA-N
ID: 68903
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(COC(CC)=O)cc(OC(=O)C)c3CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.375
InChIKey:STKVVGXKPISZCF-UHFFFAOYSA-N
ID: 68904
SMILES:C1(CO)(C)C2C(CO)C(c3c(cc(CCCC)cc3O)O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -15.319
InChIKey:ZHPHMIZUOVDVNY-UHFFFAOYSA-N
ID: 68905
SMILES:c1(O)cc(CCCC)ccc1CC1CC(=O)C(C)=C(C2(C)CCC(C(C)(O)C)OO2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -14.943
InChIKey:KFSAAEBNTNLXON-UHFFFAOYSA-N
ID: 68906
SMILES:C(CCCCCC1=CCC(C(C)=C)CC1)c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -16.338
InChIKey:XVYJRYRNFXBXBT-UHFFFAOYSA-N
ID: 68907
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 68908
SMILES:C(C)(c1c(Oc2cc(CCCCC)cc(O)c2)c(O)c2c(c1)OC(c1c(O)cc(O)c3c1CC1C(C)(O3)CCC(C(=C)C)C1)o2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 630.778
CB1 binding score: -11.776
InChIKey:GILUAOQFHWUXLX-UHFFFAOYSA-N
ID: 68909
SMILES:c1(C)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 276.376
CB1 binding score: -15.215
InChIKey:YYDDOSWNFIVNGI-UHFFFAOYSA-N
ID: 68910
SMILES:C12(C(=C)C)C3C(C)(Oc4cc(CCCCC)cc(O)c43)CC1C(C)(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 370.533
CB1 binding score: -16.788
InChIKey:BCGJXNHKADTUCO-UHFFFAOYSA-N
ID: 68911
SMILES:CC(C(c1c2c(cc(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -13.729
InChIKey:FRLVMZDYSSSMPN-UHFFFAOYSA-N
ID: 68912
SMILES:C1(OC(CCCCCCC)=O)C23C(C4(C)CC2c2c(O)c(C(OC)=O)c(CCCCC)cc2O4)C(CCC3C)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 598.821
CB1 binding score: -14.58
InChIKey:MXLZALBCZNHCRP-UHFFFAOYSA-N
ID: 68913
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C3C(CCC1(C)O2)C(C)(C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.856
InChIKey:NTLAZZRFPYGLFU-UHFFFAOYSA-N
ID: 68914
SMILES:CC1=CCCC2(C)Oc3c(c(OC)c(CCCCC)cc3O)C(C2)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.342
InChIKey:AUDUKSJMRGYFDK-UHFFFAOYSA-N
ID: 68915
SMILES:C(O)C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.174
InChIKey:CJRHYYRYCGLADH-UHFFFAOYSA-N
ID: 68916
SMILES:C(C)CCCCCCCCCCc1c(OC)cc2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.685
CB1 binding score: -14.926
InChIKey:HDWCBSUWPIOFMK-UHFFFAOYSA-N
ID: 68917
SMILES:C1CC2C(c3c(cc(CCCCC)cc3O)OC2(C)C)C=C1CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 68918
SMILES:C(C)(=CCCC(C)=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 68919
SMILES:CC(=CCc1c(O)c(C)cc(O)c1)CCC=C(C(=O)CC1C(C)(C)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.519
InChIKey:MSYMFUPSWZIXCT-UHFFFAOYSA-N
ID: 68920
SMILES:C1(C)=CC(c2cc(CCCC)ccc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -17.823
InChIKey:MJPGPIDFMYMEIN-UHFFFAOYSA-N
ID: 68921
SMILES:C1(C)(C)C2CC=C(C)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 68922
SMILES:CC1CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N