ID: 82174
SMILES:C12C=C(C)CC1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.832
InChIKey:AFNHADXRZFCASY-UHFFFAOYSA-N
ID: 82175
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C(C=CC(C)=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.462
InChIKey:MISUOJPRXQDVEI-UHFFFAOYSA-N
ID: 82176
SMILES:C123OC1(c1c(cc(CCCCC)cc1O)OC3(C)C)C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.255
InChIKey:VJPKFYHZSIBZFA-UHFFFAOYSA-N
ID: 82177
SMILES:CCCCCc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 82178
SMILES:c1cc(CCc2cc(CC=C(CCC=C(CCC=C(C)C)C)C)cc(OS(=O)(O)=O)c2)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.685
CB1 binding score: -12.424
InChIKey:JTZSHWABNWFMFB-UHFFFAOYSA-N
ID: 82179
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 82180
SMILES:C1CC(C)C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.947
InChIKey:ZFKHGDFOBRVMII-UHFFFAOYSA-N
ID: 82181
SMILES:C(=O)C1=CC2C(CC1)C(C)(C)Oc1cc(C)c(OC)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -16.608
InChIKey:JYQOVSQFJJCKKJ-UHFFFAOYSA-N
ID: 82182
SMILES:c1(O)cc(C(=O)CC(C)C)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.055
InChIKey:OAEMYZLSFWZUEY-UHFFFAOYSA-N
ID: 82183
SMILES:OC(c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -18.309
InChIKey:KYBSQVMEBKBMOK-UHFFFAOYSA-N
ID: 82184
SMILES:O=c1c(C)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -16.669
InChIKey:JAENRYYNTJRNKW-UHFFFAOYSA-N
ID: 82185
SMILES:Oc1c2c(cc(CCCCCCC)c1)OC(C)(C)C1C2CC(C(=O)O)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.616
InChIKey:GSKNVEGBNBTMFV-UHFFFAOYSA-N
ID: 82186
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CCC1)(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.361
InChIKey:UHGGVZSFCGFWAA-UHFFFAOYSA-N
ID: 82187
SMILES:C(=C(C)C)CCC(C)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 290.447
CB1 binding score: -17.404
InChIKey:LIFOCERVKVJSNG-UHFFFAOYSA-N
ID: 82188
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(O)C)CCC(O)(C)C1C2
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 346.511
CB1 binding score: -16.34
InChIKey:UAFAPUVSOSZPLN-UHFFFAOYSA-N
ID: 82189
SMILES:CC1(O)Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.243
InChIKey:QTGRWAAXZFBAFE-UHFFFAOYSA-N
ID: 82190
SMILES:C(=C(CCC=C(C)C)C)Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.625
CB1 binding score: -15.987
InChIKey:LJHKIPAPJLLETD-UHFFFAOYSA-N
ID: 82191
SMILES:C1CC(C)=CCCC2(C)Oc3cc(CCCCC)cc(O)c3C2C1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -17.427
InChIKey:XFZQUXBXYRHWRE-UHFFFAOYSA-N
ID: 82192
SMILES:c1(OCC)cc(CCCCC)cc2c1C(=O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.434
InChIKey:OYGJVZPQOQTZQU-UHFFFAOYSA-N
ID: 82193
SMILES:C(CCCC)c1cc(O)c(CC2C3(C)C(C(C)(C)CCC3)C(O)CC2=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.618
InChIKey:PSSIVULEUQXOFK-UHFFFAOYSA-N
ID: 82194
SMILES:c1(CCCCC)c(C)c(C(O)=O)c(O)c2c1OC1(C)CCC(C(=CCC3C(C)(C)O3)C)OC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -13.658
InChIKey:HFYPJUHGQZBBGH-UHFFFAOYSA-N