ID: 35344
SMILES:CC1(O)CCCC(c2c(O)cc(CCCC)cc2)(C)C1CCC(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.674
CB1 binding score: -16.456
InChIKey:DXRBSZLNLLULKX-UHFFFAOYSA-N
ID: 35345
SMILES:C1C(C)=CC2c3c(cc(CCCCC)c(C(OCC)=O)c3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.956
InChIKey:ZCSSKLZKPLWEMS-UHFFFAOYSA-N
ID: 35346
SMILES:O=Cc1c(O)c2c(cc1CCCCC)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.98
InChIKey:HKQTWYXNIOJLSJ-UHFFFAOYSA-N
ID: 35347
SMILES:C(Cc1c2c(c(O)c(C(=O)CCCC)c1O)OC(C)(C)C1CC=C(C)CC21)CC(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -14.927
InChIKey:WBKZHWRCATVUJU-UHFFFAOYSA-N
ID: 35348
SMILES:c1(C(=O)C(C)C)cc2c(c(O)c1)C1C(CCC(=C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.643
InChIKey:KGPMIQMLQJJXSQ-UHFFFAOYSA-N
ID: 35349
SMILES:C12C(C(O)CC1C)C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.438
InChIKey:BIAJZJZYBHBETG-UHFFFAOYSA-N
ID: 35350
SMILES:C1C(C)C2=C(c3c(cc(CCCCC)c(C(=O)O)c3O)OC2(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.905
InChIKey:FVFMQMXPKRFKGU-UHFFFAOYSA-N
ID: 35351
SMILES:C1=C(C)C(O)CC(C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.238
InChIKey:BJYXQJGARPKCEI-UHFFFAOYSA-N
ID: 35352
SMILES:c1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.801
InChIKey:MISWBPJELUDMFI-UHFFFAOYSA-N
ID: 35353
SMILES:C(O)(C)(C1C=CC(C)=CC1c1c(O)cc(CCCCC#N)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 341.451
CB1 binding score: -14.113
InChIKey:VHBVKQSBRQZELP-UHFFFAOYSA-N
ID: 35354
SMILES:O1C(C)(C)C2CC(O)C(C)=CC2c2c(O)cc(CCCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.697
InChIKey:RDLUNEDCJHKYDQ-UHFFFAOYSA-N
ID: 35355
SMILES:c1(C23C(=O)C(C)=C(O)C2(CC=C(CCC=C(C)C)C)O3)c(O)cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -16.421
InChIKey:NANQWAWWNCDVTF-UHFFFAOYSA-N
ID: 35356
SMILES:C(c1c(CCCC)cc2c(c1O)C1C(C(=C)C)CCC(C)(O2)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.688
InChIKey:ZBTDXPGUKZKHAZ-UHFFFAOYSA-N
ID: 35357
SMILES:C(CCC)CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.609
InChIKey:HAKUWGCTBUVNJQ-UHFFFAOYSA-N
ID: 35358
SMILES:C12C(C)(CC3(C(C)C)OC13C)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -10.989
InChIKey:PSIUSQJYJAHOMK-UHFFFAOYSA-N
ID: 35359
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.334
InChIKey:JRPARYVCKDQCGY-UHFFFAOYSA-N
ID: 35360
SMILES:C(CCCC)c1cc(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: 35361
SMILES:C(CCCC)c1cc2c(cc1)C1=C(C(C)(C)O2)CC(O)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.143
InChIKey:GREFSXRYJACSLX-UHFFFAOYSA-N
ID: 35362
SMILES:CC(O)(C)C=CCC1(C)C(C(OC(=O)C)C=C(C)C=C)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -15.797
InChIKey:JPKFNWBMXDNCJO-UHFFFAOYSA-N
ID: 35363
SMILES:CC(C)(c1ccc2c(c1)OC(C)(C)C1CCC(C)(O)C(O)C21)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -16.19
InChIKey:RZPJTOFUNLWRMY-UHFFFAOYSA-N
ID: 35364
SMILES:c1(O)c(CCCC(C)=O)cc2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.785
InChIKey:ZLJZKZMTSFIJFR-UHFFFAOYSA-N