ID: 35113
SMILES:C12CC=C(C)C(=Cc3c(O)c(C(O)=O)c(CCCCC)cc3O)C1(C)CCC(C(O)(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -12.02
InChIKey:AKQFEXGTWQNCLV-UHFFFAOYSA-N
ID: 35114
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C(C)(C)O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -17.942
InChIKey:PRKDRANYBPHDBW-UHFFFAOYSA-N
ID: 35115
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 35116
SMILES:C(CCC)Cc1cc(O)c(CC2=C(C)CC(C)(C)CC2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.466
InChIKey:CMKHFNBILTXZNR-UHFFFAOYSA-N
ID: 35117
SMILES:C1CC(Cl)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.838
CB1 binding score: -15.485
InChIKey:PRDBJVMSTJKZCU-UHFFFAOYSA-N
ID: 35118
SMILES:CCCCCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.551
CB1 binding score: -15.526
InChIKey:RICVXQPOPZMMDV-UHFFFAOYSA-N
ID: 35119
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.759
InChIKey:NIRSQPIJCAWYGX-UHFFFAOYSA-N
ID: 35120
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 35121
SMILES:C1CC2C(c3c(cc(CCCCC)cc3O)OC2(C)C)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 35122
SMILES:CC1(C)C(CC=C(C)C)CC(C)=CC1c1cc(O)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -14.969
InChIKey:HBLJBHBTZURFCW-UHFFFAOYSA-N
ID: 35123
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 35124
SMILES:c1c(CCCCCCCC)c2c(c(O)c1)C1CC(O)(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.565
CB1 binding score: -15.395
InChIKey:OEBPTHDEBWUGDV-UHFFFAOYSA-N
ID: 35125
SMILES:CCCCCc1cc(OC)c2c(c1)OC(C)(C)C1CCC(O)(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.446
InChIKey:YURNZQJCLPCQIP-UHFFFAOYSA-N
ID: 35126
SMILES:COC(=O)OC1C(COC(C)=O)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.549
CB1 binding score: -15.567
InChIKey:QOFMDVPHWIBIOG-UHFFFAOYSA-N
ID: 35127
SMILES:C(=CCC)Cc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.265
InChIKey:RGYKKFHRTWPLQH-UHFFFAOYSA-N
ID: 35128
SMILES:C1(O)C2(c3c(cc(CCCCC)cc3O)OC2(C)C)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -12.053
InChIKey:PZYQMDMGCYCORG-UHFFFAOYSA-N
ID: 35129
SMILES:c1(Cl)c(CCCCC)c2c(c(O)c1)CC1(O2)C(C)CC(=O)C(C(c2cc3c(cc2)OCO3)CC=C(C)C)=C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 553.095
CB1 binding score: -15.795
InChIKey:APLHOWKNXFXRLV-UHFFFAOYSA-N
ID: 35130
SMILES:O1c2c(c(O)cc(CCCCC)c2)-c2c(ccc(C)c2)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -15.983
InChIKey:MSVZZQSUWKQWAV-UHFFFAOYSA-N
ID: 35131
SMILES:C1(C)=CC2c3c(cc(CCCCC)c(O)c3O)OC1CC2C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.744
InChIKey:SJMMXLPAHRRXCH-UHFFFAOYSA-N
ID: 35132
SMILES:O1C(C)C(O)C(O)C(O)C1Oc1c2c(cc(C(C)(C)CCCC(C)C)c1)OC(C)(C)C1C23OC(=O)C(C)=C3CC1C(OC)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 630.819
CB1 binding score: -14.605
InChIKey:FYAZWCBSOACSMO-UHFFFAOYSA-N
ID: 35133
SMILES:C1CC2(C)OC1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.994
InChIKey:BQTOOGHIFYFIFN-UHFFFAOYSA-N