ID: 42127
SMILES:c1c(O)cc(CCCCC)c(C2C(C(C)=C)CCC(C)=C2)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.438
InChIKey:USIWXZGYBVQYOB-UHFFFAOYSA-N
ID: 42128
SMILES:C1(C(=C)C)C(c2c(O)cc(O)cc2O)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.957
InChIKey:ZSBGNUPOFUYDMQ-UHFFFAOYSA-N
ID: 42129
SMILES:C1CC(C(CCC(C)=CCc2c(O)ccc(O)c2)C2(C)CCC(=O)C(C)(C)O2)=CC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -13.728
InChIKey:MVFVCNZHCYLQOT-UHFFFAOYSA-N
ID: 42130
SMILES:C(C)(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 42131
SMILES:C(CC=Cc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)C=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.636
CB1 binding score: -15.752
InChIKey:GXWAZBPNGUJUFR-UHFFFAOYSA-N
ID: 42132
SMILES:O=Cc1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.286
InChIKey:NQFUEDHWQJVOKZ-UHFFFAOYSA-N
ID: 42133
SMILES:CC(CCC=C(C)C)=CCCC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 42134
SMILES:C(CCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2)=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.77
InChIKey:QCMMIKQTDMOYBT-UHFFFAOYSA-N
ID: 42135
SMILES:c1(CCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.238
InChIKey:STULUNMWRNPIML-UHFFFAOYSA-N
ID: 42136
SMILES:O=C(C)Oc1c(C(C(C)CC)=O)c(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -14.406
InChIKey:NROQOMSKJPCRPP-UHFFFAOYSA-N
ID: 42137
SMILES:C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.425
InChIKey:VETSYTHGICVFOX-UHFFFAOYSA-N
ID: 42138
SMILES:C(C)CCc1cc2c(c(O)c1C=O)CC1C(CCC(C(=C)C)O1)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.9
InChIKey:BBQISHXBZSYWRA-UHFFFAOYSA-N
ID: 42139
SMILES:C1(Br)C(C)(C)OC2(CC3=C(C)CC(c4cc(C(=O)O)c(CCCCC)cc4OC(C)=O)C(C)CC3)CC2C(=O)C=C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 645.631
CB1 binding score: -17.227
InChIKey:LEFSWKXNSPHBDX-UHFFFAOYSA-N
ID: 42140
SMILES:O=C1CC2C(c3c1cc(CCCCC)cc3O)OC(C)(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.262
InChIKey:QQFZSURBXQTUTR-UHFFFAOYSA-N
ID: 42141
SMILES:C(C)CCCc1cc(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: 42142
SMILES:Oc1c2c(cc(CCCCC)c1)OC(CO)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.979
InChIKey:BGFAVKWESQHCHC-UHFFFAOYSA-N
ID: 42143
SMILES:c1(CCCCC)cc2c(c(O)c1)C(=O)C1(CC=C(C)CCC(O)C(C)(C)O2)CC1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: -15.972
InChIKey:PROCTWRDAOROLT-UHFFFAOYSA-N
ID: 42144
SMILES:c1c(C2C=C(C)CCC2C(=C)C)c(O)c(CC=C(C)C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.948
InChIKey:OFPSTJFCCUOHFQ-UHFFFAOYSA-N
ID: 42145
SMILES:c1(OC)c(C2C(C(C)C)CCC(C)=C2)c(CC=C(C)C)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.578
CB1 binding score: -15.031
InChIKey:DENPBFCLSBHIRJ-UHFFFAOYSA-N
ID: 42146
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.502
InChIKey:OUNVQELVMFLOGJ-UHFFFAOYSA-N
ID: 42147
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CC)cc1O)(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.605
InChIKey:ZEVHECLIOKUBDB-UHFFFAOYSA-N