ID: 31270
SMILES:C(CC)CCc1c(C(=O)O)c(O)c(C2C=C(C(C)C)CCC2(C)C2CC=C(C)CC2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.651
CB1 binding score: -12.662
InChIKey:GTFFMBWICZMOGZ-UHFFFAOYSA-N
ID: 31271
SMILES:CC1=C2C(C(C)(C)Oc3cc(C)oc(=O)c32)C=C(C)CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.653
InChIKey:YPAAVMOJOKHJHN-UHFFFAOYSA-N
ID: 31272
SMILES:C1C2=C(c3c(cc(CCCCC)c(O)c3O)OC2(C)C)C(=O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.099
InChIKey:LIAUVSVERXPXTD-UHFFFAOYSA-N
ID: 31273
SMILES:C1C2(C)Oc3c(c(OC)cc(CCCCC)c3)C3OC(C)(C)C(CCC(C)=CC12)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -13.725
InChIKey:CAVDNTSQFXDZHB-UHFFFAOYSA-N
ID: 31274
SMILES:C=C1C2C(c3c(O)cc(CCCCC)cc3O1)C(C)CCC2C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.283
InChIKey:BQLBDLNNOZWBBM-UHFFFAOYSA-N
ID: 31275
SMILES:Oc1cc(CCC)cc2c1CC1(O)C3C(C)(C)C(CCC1(C)O2)C3O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -11.623
InChIKey:QWBULZUTIGQKNA-UHFFFAOYSA-N
ID: 31276
SMILES:c1(CC=C(C)CCC=C(C)CCC=C(C)C)cc(O)cc(CCc2cc(O)ccc2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.621
CB1 binding score: -17.636
InChIKey:XOKIKPHCDPGFOR-UHFFFAOYSA-N
ID: 31277
SMILES:C1(=C(C)CO)C(C)C2C(C(=O)O1)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -15.538
InChIKey:CXDKJORHGRDOHO-UHFFFAOYSA-N
ID: 31278
SMILES:c1c(O)cc(C2C=C(C)CCC2C(=C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.81
InChIKey:RLNFSWIFLYYPPU-UHFFFAOYSA-N
ID: 31279
SMILES:C(CC(C)=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N
ID: 31280
SMILES:C(=O)(C)Oc1cc2c(cc1CCCCC)OC(C)(C)c1c-2cc(C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -14.248
InChIKey:XIVPPVTUSRYODL-UHFFFAOYSA-N
ID: 31281
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(C)c3)C2C(O)C(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.352
InChIKey:LGVIZSBMRKDNDJ-UHFFFAOYSA-N
ID: 31282
SMILES:Oc1ccc2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -18.541
InChIKey:DXDRGIVLXHOGHC-UHFFFAOYSA-N
ID: 31283
SMILES:C1C2(C)C(c3c(cc(CCCCC)cc3O)O1)CC(C(=C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.657
InChIKey:NVXYEMGRFAVMIE-UHFFFAOYSA-N
ID: 31284
SMILES:C12(C)CC1CCC1C(C)(C)Oc3c(C(O)(C)C)cc4c(c3OC21)C(CC(C)C)O4
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -11.649
InChIKey:QKQJQSWSDIDMOE-UHFFFAOYSA-N
ID: 31285
SMILES:O(c1cc(CCCCC)cc2c1OC(CCC=C(C)C)(C)C1CCC(C(=O)O)=CC21)C=CC=CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.673
CB1 binding score: -13.046
InChIKey:CLKSDHPGVNUOPX-UHFFFAOYSA-N
ID: 31286
SMILES:C(CCC)Cc1c(O)c(C(O)=O)c(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 294.391
CB1 binding score: -15.313
InChIKey:LTMXPENGAYZLFR-UHFFFAOYSA-N
ID: 31287
SMILES:c1c(O)cc(CCc2cc(O)c3c(c2)OC(C)(C)C(O)CCC(C=C)(C)CCC=C(C)C3)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -13.803
InChIKey:IMPNZDJZKBPQNL-UHFFFAOYSA-N
ID: 31288
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C(O)(C)C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -17.942
InChIKey:PRKDRANYBPHDBW-UHFFFAOYSA-N
ID: 31289
SMILES:OC(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -12.905
InChIKey:VSRHIJHNILNOFO-UHFFFAOYSA-N
ID: 31290
SMILES:C(C)(C1CCC2(C)C(C1)C(C)Cc1c2c(O)cc(CCCCC)c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -12.844
InChIKey:WGGLVTFNNFIBJC-UHFFFAOYSA-N