ID: 883
SMILES:c1(Cc2ccccc2O)c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.61
CB1 binding score: -16.155
InChIKey:PKNAASROCZSJFP-UHFFFAOYSA-N
ID: 884
SMILES:Oc1c(OC)c(C)cc(O)c1C(=O)CC1(C)C2CCC(C)C2(C)C=CC(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -18.044
InChIKey:ZXHGOPRYBAMNOK-UHFFFAOYSA-N
ID: 885
SMILES:CC(=O)OCC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -19.773
InChIKey:ILHSUWMZKIAMCQ-UHFFFAOYSA-N
ID: 886
SMILES:C(C(C)c1c(O)c2c3c(c1)OC(C)(C)C1CCC(C)(C21)O3)(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.109
InChIKey:CMJUZNGTQQRIRC-UHFFFAOYSA-N
ID: 887
SMILES:Cc1c(Cc2c(O)c(CC=C(CCC=C(C)C)C)cc(O)c2C2=C(C)C(=O)C=C(OC)C2=O)c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 666.855
CB1 binding score: -13.311
InChIKey:FAXFPYBAJLZYHS-UHFFFAOYSA-N
ID: 888
SMILES:CC1(C)C2(CC=C(C(=O)O)CC2)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.288
InChIKey:KAEPGEXHKDNRTP-UHFFFAOYSA-N
ID: 889
SMILES:C12=C(C(C)(C)Oc3cc(CCC)cc(O)c31)CC=C(CO)C2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -15.564
InChIKey:MWSRBDDCOLOVSJ-UHFFFAOYSA-N
ID: 890
SMILES:c1(CCCCCC)cc(O)cc(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.792
InChIKey:CMFCDQRKSIEDST-UHFFFAOYSA-N
ID: 891
SMILES:C(Cc1c(O)cc(CCCCC)c(C(=O)O)c1O)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 892
SMILES:c1(CCCCCC)cc2c(c(C=O)c1)OC(C)(C)C1C2C=C(C)CCC1OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.041
InChIKey:CUPQQQMMOUPOCF-UHFFFAOYSA-N
ID: 893
SMILES:C1C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC2C1C(=O)C(O)=C(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -15.39
InChIKey:KPNQGEFGRNZFGQ-UHFFFAOYSA-N
ID: 894
SMILES:C(C)CCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C(OC(=O)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -15.021
InChIKey:HCKOFPTWWYIIHX-UHFFFAOYSA-N
ID: 895
SMILES:C1(OC(=O)C)CC(C)C2(Oc3c(c(OC(C)=O)cc(CCC(OC(C)=O)C)c3)C2)C(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.567
CB1 binding score: -15.6
InChIKey:WMUFDYRSMFERNO-UHFFFAOYSA-N
ID: 896
SMILES:C1C(C)(C)C2C(CC(O)(C)CC2)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.929
InChIKey:KRBGHWVOJJYNAX-UHFFFAOYSA-N
ID: 897
SMILES:C12c3c(cc(CCCCC)c(C=O)c3O)OC(C)(C)C1CC(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.412
InChIKey:BRQCWKFBWRIDBB-UHFFFAOYSA-N
ID: 898
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 899
SMILES:C1=CC(C)(C)C(c2c(OC(C)=O)cc(CCCCC)cc2OC)CC1(C)C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.605
InChIKey:MZFYZIRMDSZGSH-UHFFFAOYSA-N
ID: 900
SMILES:c1c(C)c2c3c(c1)C(C)(C)Oc1cc(CCCC)cc(O)c1C3C(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.674
CB1 binding score: -15.353
InChIKey:DQRQFKVVZPMEOF-UHFFFAOYSA-N
ID: 901
SMILES:Oc1c(C(C(C)CC)=O)ccc2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.308
InChIKey:LKLVKLDFXWVUSV-UHFFFAOYSA-N
ID: 902
SMILES:c12c(cc(C(C)(CCCCC)O)cc1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -14.788
InChIKey:SCUCKQQDNWICHL-UHFFFAOYSA-N
ID: 903
SMILES:COc1c(O)c2c(cc1CCCCC)OC(C)(CCC(C(C)=C)O)C(O)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -16.237
InChIKey:MGRLUVBQMLTSDV-UHFFFAOYSA-N