ID: 42169
SMILES:c12cc(C)c(CCC(C)C)c(OC)c1OC(CC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.522
InChIKey:YHPSETYMQQRFQR-UHFFFAOYSA-N
ID: 42170
SMILES:C(CCC)c1cc2c(c(O)c1)C1C(=O)C(C)(C)OC1(CC=C(C)C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -14.534
InChIKey:XDXPXPFPBRYFOV-UHFFFAOYSA-N
ID: 42171
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)COC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -18.488
InChIKey:BJZJAMNEJBDAQP-UHFFFAOYSA-N
ID: 42172
SMILES:C(=C(C=O)C)CCC(C)C1c2c(O)cc(CCC)cc2OC(C)(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -13.649
InChIKey:WEBHKGIWAZJNHE-UHFFFAOYSA-N
ID: 42173
SMILES:Oc1c(Br)c2c(cc1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 339.229
CB1 binding score: -15.302
InChIKey:IIYVZSITENZHMJ-UHFFFAOYSA-N
ID: 42174
SMILES:C1(C=O)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.053
InChIKey:HQRKNUDGMPVIMO-UHFFFAOYSA-N
ID: 42175
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 42176
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 42177
SMILES:C(C1CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1O)CCCc1ccc(OC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 452.679
CB1 binding score: -14.699
InChIKey:TVMWCKILXBUDQV-UHFFFAOYSA-N
ID: 42178
SMILES:O1c2c3c(cc(C)c2)oc(=O)c(c2C(=O)CC(C)C)OC(C)(C)C(C2OC3)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.443
CB1 binding score: -15.882
InChIKey:CIJXBMDRELUVEL-UHFFFAOYSA-N
ID: 42179
SMILES:CCc1cc(O)c(CC=C(CCC(OO)C(C)=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Phloroglucinols
Class: Cannabinoids;Prenylated,geranylated phloroglucinols
MW: 306.402
CB1 binding score: -15.929
InChIKey:ILXSKMMVKBSHEX-UHFFFAOYSA-N
ID: 42180
SMILES:C1CCC(=C)C(C=CC(=CCc2c(O)cc(CCCCC)cc2O)C)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.326
InChIKey:DLHOYQLFVCOMCN-UHFFFAOYSA-N
ID: 42181
SMILES:C1(OC)C2C(C)(C)C3C1c1c(cc(CCCCC)cc1O)OC3C1OC(=O)C(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -13.575
InChIKey:QXURPZHRHFFUPS-UHFFFAOYSA-N
ID: 42182
SMILES:c1(CCCCC)cc(O)c(C2C(C(C)C)CCC(CO)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.196
InChIKey:HQWTZGLRGCSGTB-UHFFFAOYSA-N
ID: 42183
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 42184
SMILES:C(=C)(C)C1C(c2c(O)cc(CCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 42185
SMILES:C1CC=C(C)CC2C(C(C)(C)Oc3cc(C(C)O)ccc31)CCC2(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.109
InChIKey:FEKMFNMWGQTHQN-UHFFFAOYSA-N
ID: 42186
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.844
InChIKey:DHOXLQJAMAKRMH-UHFFFAOYSA-N
ID: 42187
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C(O)C2(C)C2C1(C)C(C)=CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.844
InChIKey:FKZAHARWAIRDQL-UHFFFAOYSA-N
ID: 42188
SMILES:Oc1c2c(cc(O)c1C=O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.503
InChIKey:ZDWOQDQFJDNZLM-UHFFFAOYSA-N
ID: 42189
SMILES:BrC1C(C)(C)Oc2cc(CCCCC)cc(O)c2C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.261
CB1 binding score: -17.061
InChIKey:CINLPKDSTQJRTO-UHFFFAOYSA-N