ID: 108004
SMILES:C1(C)=CC2c3c(OC)c(OCCC(CCC=C(C)C)C)cc(O)c3CC2(C)C(Br)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 477.483
CB1 binding score: -14.239
InChIKey:JUHXBKYQIRTEFP-UHFFFAOYSA-N
ID: 108005
SMILES:C12(C(OC)=O)C(CC(=O)CC1C)C1c3c(O)cc(C)cc3OC(C)(C)C1C2OC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 430.497
CB1 binding score: -15.302
InChIKey:FGINTXALUNMNEE-UHFFFAOYSA-N
ID: 108006
SMILES:CC1(C)C2(CCC(CO)=CC2)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.67
InChIKey:HGWGOAMQJDACCI-UHFFFAOYSA-N
ID: 108007
SMILES:C(C=C(C)C)CC1(C)OC(=O)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.397
InChIKey:KXCIKUPRFYZGGS-UHFFFAOYSA-N
ID: 108008
SMILES:C(=C(C)C)CCC(=CCCC(=CCc1cc(O)c(CC(O)=O)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Merosesquiterpenoids;Tetraketide meroterpenoids
MW: 372.505
CB1 binding score: -18.306
InChIKey:BDRGSNYWOXCBFU-UHFFFAOYSA-N
ID: 108009
SMILES:c1(C)cc(O)c2c(c1)Oc1c(cc(CCCCC)cc1OC)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.42
CB1 binding score: -15.404
InChIKey:HIIFGVTTZZTAOZ-UHFFFAOYSA-N
ID: 108010
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 108011
SMILES:C12C=C(C)CCC1C(C)(C)Oc1c2cc(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.067
InChIKey:OBJJEVJNCDBGOD-UHFFFAOYSA-N
ID: 108012
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(CC2=O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.878
InChIKey:HJAWTLWDWSRDGM-UHFFFAOYSA-N
ID: 108013
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -16.734
InChIKey:HKNNHWLJORBKQK-UHFFFAOYSA-N
ID: 108014
SMILES:CC(O)(C1(OC(=O)C)CC(=O)C(C)=CC1c1c(OC)cc(CCCCC)cc1OC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -13.973
InChIKey:XGAFEKROKJINNY-UHFFFAOYSA-N
ID: 108015
SMILES:C1(c2c(O)ccc(C#C)c2)C=C(C)CCC1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 252.357
CB1 binding score: -15.403
InChIKey:LAIZOXDXJGLQSK-UHFFFAOYSA-N
ID: 108016
SMILES:C(C)(CCCc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(O2)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.38
InChIKey:KOJUIFKZTDPQPO-UHFFFAOYSA-N
ID: 108017
SMILES:C(C1(O)C(O)CC2=C1CC(C(=C)C)C(c1c(O)cc(CCCCC)cc1O)(C)CO2)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -13.841
InChIKey:UMNLYKAJXXTMST-UHFFFAOYSA-N
ID: 108018
SMILES:C(C1Oc2cc(C)cc(O)c2C1C(C)=C)(C)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -12.14
InChIKey:STWDSDTZJZXXLC-UHFFFAOYSA-N
ID: 108019
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 108020
SMILES:C(C)(C1C(c2c(O)cc(CCC)cc2O)CC(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.447
CB1 binding score: -19.319
InChIKey:VNFNICPIQJPBJY-UHFFFAOYSA-N
ID: 108021
SMILES:C1C(C)=CC(c2c(OC)cc(OC)cc2CC=C(C)C)C(C(C)(C)O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.306
InChIKey:FEWWIGVBOOEHQK-UHFFFAOYSA-N
ID: 108022
SMILES:C1CC(C)=CC(c2c(O)cc(CCC)cc2O)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 108023
SMILES:C(CCc1cc2c(c(O)c1)CC1C(C(C)=CC2)OC(=O)C1C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -13.939
InChIKey:BTVJPFNCQUOJNS-UHFFFAOYSA-N
ID: 108024
SMILES:CC(CCCC1(C)Oc2c(C)cc(O)cc2C=C1)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.088
InChIKey:VHMFTEWRRQUCAF-UHFFFAOYSA-N