ID: 54034
SMILES:O(C(C)=O)C1CC(C)(C)C2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -13.39
InChIKey:WZYVUCYAMLKGIR-UHFFFAOYSA-N
ID: 54035
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C(O)C2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.364
CB1 binding score: -18.858
InChIKey:FCEJYUOQVZGCIK-UHFFFAOYSA-N
ID: 54036
SMILES:CC1(CCC=C(C)C)C2c3c(O)cc(CCCCC)cc3OC(C(O)(C)CC2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.418
InChIKey:JYLPXOQGZNRVRD-UHFFFAOYSA-N
ID: 54037
SMILES:OC1(C)CCC(C(=C)C)C2c3c(O)cc(CCCC)cc3OC3(C)CCC1C23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.114
InChIKey:KPWAGXZXCNPWGK-UHFFFAOYSA-N
ID: 54038
SMILES:C(C1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 54039
SMILES:CC1(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC(C)=CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.035
InChIKey:KEAXRVVDSBXMMT-UHFFFAOYSA-N
ID: 54040
SMILES:C1(CC(=O)O)C(C(=O)Oc2cccc(CCCCCC)c2)c2c(cc(CCCCC)cc2)O1
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 452.591
CB1 binding score: -16.004
InChIKey:SDKPSGTUWLKKFN-UHFFFAOYSA-N
ID: 54041
SMILES:O(C)c1cc(CCCCC)cc(O)c1C=CC(CCC=C(C)C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.034
InChIKey:QASRARIFUBVEMD-UHFFFAOYSA-N
ID: 54042
SMILES:C(C=C(C=CCC(=CCc1c(O)c(C)cc(O)c1)C)C)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.339
InChIKey:YJIJQYKRECIVSO-UHFFFAOYSA-N
ID: 54043
SMILES:CC(C1CCC2(C)Oc3c(c(O)c(C(=O)OC)c(CCCCC)c3)C2C1)CCC=C(CCC=C(C)CO)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.758
CB1 binding score: -15.923
InChIKey:FTGRAAXKQCGLRW-UHFFFAOYSA-N
ID: 54044
SMILES:c1(O)ccc2c(c1)C(CC(C=C(C)C)=O)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.511
CB1 binding score: -17.108
InChIKey:PMMMXSWZBWGGKM-UHFFFAOYSA-N
ID: 54045
SMILES:c12c(c(Cl)c(O)c(CC=C(C)CCC=C(C)C)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 431.016
CB1 binding score: -17.792
InChIKey:VEVPJSQGRZSYJN-UHFFFAOYSA-N
ID: 54046
SMILES:COc1cc(CCCC)cc2c1OC(C)(C)C1CCC(C(=O)O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.905
InChIKey:PBVYYHQDJKXBJH-UHFFFAOYSA-N
ID: 54047
SMILES:C(OC(=O)CC(C(OCC)=O)C)COc1cc2c(c(CC=C(C)C)c1)OC(C)(C)C1CCC(C(=O)O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 528.642
CB1 binding score: -15.288
InChIKey:JJCKCOGAJDDBNT-UHFFFAOYSA-N
ID: 54048
SMILES:c1(-c2cc(O)c(C3C(C(C)=C)CCC(C)=C3)c(O)c2)c(CC=C(C)C)cc(O)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.576
CB1 binding score: -13.283
InChIKey:SQRBQAHACGHNGL-UHFFFAOYSA-N
ID: 54049
SMILES:c1c(CCCCC)cc2c(c1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.438
InChIKey:NKPBIUKTNLMNFS-UHFFFAOYSA-N
ID: 54050
SMILES:c12ccc(C(C3CCC(C)(C)O3)C)cc1C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: Not available
InChIKey:JLFKTTWAPPDRRI-UHFFFAOYSA-N
ID: 54051
SMILES:C12C(C)(C)Oc3cc(O)cc(C)c3C1C(=O)C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.968
InChIKey:PYBJBLCIDLZSGK-UHFFFAOYSA-N
ID: 54052
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(CCCCCC)c3)C2C2OC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.43
InChIKey:OXORQGMBFRONFT-UHFFFAOYSA-N
ID: 54053
SMILES:C1(=O)c2c(cc(CCCCC)cc2O)OC(C)(C)C1CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -16.591
InChIKey:FACCUONKERLYTP-UHFFFAOYSA-N
ID: 54054
SMILES:c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N