ID: 51871
SMILES:C1(CC(C)=CCOc2c(=O)ccc(CCCCC)cc2OC(CCC)=O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -14.983
InChIKey:HLTNHEBENGBAFA-UHFFFAOYSA-N
ID: 51872
SMILES:C(c1c(O)cc(O)c(C(O)=O)c1CC=C(C)CCC=C(C)C)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.842
InChIKey:PFWZFWNFRWNJLR-UHFFFAOYSA-N
ID: 51873
SMILES:C1(C(=O)C=CC)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -13.048
InChIKey:VGVIMPBQSCVRNJ-UHFFFAOYSA-N
ID: 51874
SMILES:C(C)(C=C(C)C)c1c2c(ccc1C)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.508
CB1 binding score: -13.169
InChIKey:STWWIBJICIDEKF-UHFFFAOYSA-N
ID: 51875
SMILES:CCCCCc1cc(O)c(CC=C(C)C)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 51876
SMILES:C(CC1C2(C)C(CCC1C=O)C(C)(C)Oc1cc(CCc3ccccc3)c(CCCCC)cc1C2)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.712
CB1 binding score: -14.996
InChIKey:LTVAPMZHGAUHMC-UHFFFAOYSA-N
ID: 51877
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C2=C(C(=O)C1=O)OC1(C)CC=C(C(CCC=C(C)C)C)C1C2)C=C(C(=O)O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 600.752
CB1 binding score: -16.502
InChIKey:ZUMCYJLGKCHGMK-UHFFFAOYSA-N
ID: 51878
SMILES:O=C(Cc1c(O)cc(O)c2c1OC(C)(C)C1CC=C(C)C1C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.502
InChIKey:ZCFSBADENLBERU-UHFFFAOYSA-N
ID: 51879
SMILES:C1(=CC=C(CCCC(C)=CC)C)c2c(cc(CCCCC)cc2O)OC(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -14.673
InChIKey:QYCMPQMSFJZHFN-UHFFFAOYSA-N
ID: 51880
SMILES:N(Cc1cc(C2C(C(C)=C)CCC(C)=C2)c(O)cc1)C=CC(C)(CCC=C(C)CCC=C(C)C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 477.733
CB1 binding score: -14.558
InChIKey:SRHJYZWKAWEDCN-UHFFFAOYSA-N
ID: 51881
SMILES:c12c(cc(O)c(CC=C(CCC=C(C)C)C)c1)C1C(C(C)C)CCC(C)(O2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.04
InChIKey:MFPRCNAAZYEYMD-UHFFFAOYSA-N
ID: 51882
SMILES:c1(O)cc(CCCCC)cc2oc(=O)c(C3C=C(C)CCC3C(C)=C)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -13.59
InChIKey:XXBGRSKGUUFNNO-UHFFFAOYSA-N
ID: 51883
SMILES:C(CC)CCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)C(OC(C)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.467
InChIKey:VHHKSRYJAZJPIF-UHFFFAOYSA-N
ID: 51884
SMILES:C1(C)=CC(c2ccc(CCCCC)c(O)c2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.701
InChIKey:GLWWBCAZFMPOBS-UHFFFAOYSA-N
ID: 51885
SMILES:CC(C(NC(c1ccccc1)C(C)C)NC(=O)c1cc2c(cc1)OC(C)(C)C1C2CC(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.705
CB1 binding score: -15.598
InChIKey:FBMRNKCTCKWQNS-UHFFFAOYSA-N
ID: 51886
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 51887
SMILES:C12(C(C)C)CCC(CO)CC1c1c(c(C(=O)O)c(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -15.652
InChIKey:OQBDNMZQIRCMGZ-UHFFFAOYSA-N
ID: 51888
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1(C(C(O)(C)C)CCC(C)=C2)OC(C)(C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -12.36
InChIKey:IZQDKCBEVLYLSH-UHFFFAOYSA-N
ID: 51889
SMILES:C(CCC)Cc1cc2c(c(OC)c1)C1C(CCC=C(CO)C)(C)C(O1)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -13.495
InChIKey:FWGUJUZWKMPYJT-UHFFFAOYSA-N
ID: 51890
SMILES:C(C)(=O)Oc1cc2c(cc1CCCCC)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.13
InChIKey:WLKNUFCVXTYUGT-UHFFFAOYSA-N
ID: 51891
SMILES:C(C(OC1C(C)=CC2C3(C(C)(Oc4c(c(OC)cc(OC(=O)C)c4)C(=O)C13)CC=C(C)C)CC(C)C(C)O2)=O)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 582.734
CB1 binding score: -16.483
InChIKey:LMLCAKSKWYBTNI-UHFFFAOYSA-N