ID: 43114
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 43115
SMILES:C1CC(C)C(O)C2C1C(C)(C)Oc1c2c(O)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -17.454
InChIKey:MAVOMZLHFUEPTE-UHFFFAOYSA-N
ID: 43116
SMILES:O(C(C)=O)c1c(OC)c2c(c(COC(CCC3CCCCC3C=COC(C(=CC)C)=O)=O)c1)OC(C)(C)C1C2C=C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 624.771
CB1 binding score: -15.521
InChIKey:MSJREMRJHINMJG-UHFFFAOYSA-N
ID: 43117
SMILES:C(O)(=O)CC(O)CC(=CCc1c(O)cc(CCCCC)c(C(=O)OC)c1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.464
CB1 binding score: -15.994
InChIKey:XYOHYIASEMTYMG-UHFFFAOYSA-N
ID: 43118
SMILES:C1C(C)C2=C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.126
InChIKey:GLSJFNHWXLLBMB-UHFFFAOYSA-N
ID: 43119
SMILES:CCCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(=O)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.929
InChIKey:IGXHGXINLFGJKW-UHFFFAOYSA-N
ID: 43120
SMILES:C1C2CC3(C)C4(Br)C(OC14c1c(cc(CCCCC)cc1O)O2)OC(C)(C)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 451.401
CB1 binding score: -15.846
InChIKey:YJLKSHUUZVEBRF-UHFFFAOYSA-N
ID: 43121
SMILES:c1c(CCCCC)cc(O)cc1C1(C(CC=C(C)CCC=C(C)C)O)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.462
InChIKey:UUPONUTXROTSML-UHFFFAOYSA-N
ID: 43122
SMILES:OC(=O)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(C(=O)O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -18.047
InChIKey:CHQAVJIXEYKWHV-UHFFFAOYSA-N
ID: 43123
SMILES:CC(CC(=O)c1c(O)c2c(cc1OC)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.584
InChIKey:GRJKISAVJKILEG-UHFFFAOYSA-N
ID: 43124
SMILES:C12C(=C)C(C)(C)C3CC1c1c(cc(CCCCC)cc1O)OC23
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.62
InChIKey:JMVIZMGAEVHCPW-UHFFFAOYSA-N
ID: 43125
SMILES:C(CCCC)Cc1cc2c(cc1)OC(C)(C)C1=C2C(=O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -13.641
InChIKey:XGXSAZYYMCABQH-UHFFFAOYSA-N
ID: 43126
SMILES:C(CC(C)=CCc1c(O)cc(CCCCC)cc1O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 43127
SMILES:c12cc(CCCC)ccc1OCC(C)(C13C(O1)CC(C)=CCSSCC2)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.613
CB1 binding score: -14.352
InChIKey:JJMZSINHPXCFKI-UHFFFAOYSA-N
ID: 43128
SMILES:Oc1c(CCCCC)c2c(c(O)c1)C1CC(CCC=C(C)C)(C)OC2(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.82
InChIKey:YRXZIHRSAYRYMT-UHFFFAOYSA-N
ID: 43129
SMILES:O=C(c1c(CCCCC)cc2c(c1O)C1=C(CC(C)(C)O1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.239
InChIKey:BQKJGWINRJOAQB-UHFFFAOYSA-N
ID: 43130
SMILES:C(c1c(OC)cc(O)c2c1OC1C(O)C2C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C1CO)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.599
CB1 binding score: -15.868
InChIKey:OINRAMIYDKJXSL-UHFFFAOYSA-N
ID: 43131
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC(O)C(CO)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.967
InChIKey:XTDYIISRNODHHT-UHFFFAOYSA-N
ID: 43132
SMILES:c12c(cc(CCCCC)cc1C)OC(C)(C)C1CC=C(C)C(=O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -13.48
InChIKey:UWVLFPDQEFLUBA-UHFFFAOYSA-N
ID: 43133
SMILES:C1(C)(CC(=O)C=C(C)C)C=Cc2c(O)c(C(O)=O)c(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -16.425
InChIKey:SEUDNRGAHFFGLA-UHFFFAOYSA-N
ID: 43134
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(=C)CCC1O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.321
InChIKey:ZKMVYLJWRZDWLO-UHFFFAOYSA-N