ID: 50317
SMILES:Oc1c(CC=C(C)CCC=C(C)C)cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 50318
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 50319
SMILES:c12c(cc(CCCCC)cc1O)OC(O)(C)C2C=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -10.968
InChIKey:XTDYGZQMGABZQZ-UHFFFAOYSA-N
ID: 50320
SMILES:C1(O)C(O)C(Oc2cc(CC=C(CCC=C(C)C)CC)c(O)c(C=O)c2O)OC(CO)C1Oc1cc(CC=C(C)C)c(CCCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 710.905
CB1 binding score: -15.519
InChIKey:KQLUSAPEEPZVOY-UHFFFAOYSA-N
ID: 50321
SMILES:C(C(C)=CC=CCC(C)C(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.382
InChIKey:OSGOEJJUWQAORF-UHFFFAOYSA-N
ID: 50322
SMILES:C1(C)=CC(c2c(O)ccc(CCC(OC)=O)c2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.407
InChIKey:SRWJJNKFLYAOQA-UHFFFAOYSA-N
ID: 50323
SMILES:C(C)(=CCc1c(CC=C(C)C)c(O)ccc1C1C(C(C)=C)CCC(C)=C1)C=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.584
CB1 binding score: -15.514
InChIKey:QJJOOVPQAKDJGV-UHFFFAOYSA-N
ID: 50324
SMILES:C(C)(=CCc1c(O)c(C(=O)O)c(CCCCC)c(O)c1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.138
InChIKey:BZHWTNCHQIQETM-UHFFFAOYSA-N
ID: 50325
SMILES:C1c2c(O)cc(CCCCC)cc2OC(C(O)(C)CCC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -19.964
InChIKey:CMQSOKMVOYLKLN-UHFFFAOYSA-N
ID: 50326
SMILES:C1CC(C)CC(c2c(O)c(C(=O)O)c(CCCCC)cc2O)C1C(O)(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.628
CB1 binding score: -13.659
InChIKey:JNOHBMJOEIDSSB-UHFFFAOYSA-N
ID: 50327
SMILES:CC(=CCc1c(O)cc(CCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 50328
SMILES:C1C2C(CC=C2C)C(C)(C)Oc2c(O)c(C(=O)C(CC)C)c(O)c(CC=C(C)C)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.041
InChIKey:GRLVZOUSBKLHRF-UHFFFAOYSA-N
ID: 50329
SMILES:C(Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.758
InChIKey:TXVRIJHVLPFPMD-UHFFFAOYSA-N
ID: 50330
SMILES:C1(=C)C2C(O)(c3c(cc(CCCCC)cc3O)OC2(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.169
InChIKey:QYNURPPUQIWNKZ-UHFFFAOYSA-N
ID: 50331
SMILES:C1(=O)C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.594
InChIKey:BZTCKHPFHKOYJY-UHFFFAOYSA-N
ID: 50332
SMILES:CC(O)(C)C1C(c2c(O)cc(CCC)cc2O)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -19.168
InChIKey:BMEOABJGGIYLGA-UHFFFAOYSA-N
ID: 50333
SMILES:C(O)(=O)C(C)CCCC(=CCOc1c2c(cc(C(O)=O)c1)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -14.647
InChIKey:ACQZUCGADGUZFY-UHFFFAOYSA-N
ID: 50334
SMILES:COC(c1c(CCC)cc(O)c(CC=C(CO)CCC=C(C)C)c1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -17.291
InChIKey:GSODGXHSYBJZMP-UHFFFAOYSA-N
ID: 50335
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(C)CC(C=C(C)C)C1(O)O2)C(CO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.434
InChIKey:MKOFGOZNHNHCLK-UHFFFAOYSA-N
ID: 50336
SMILES:C(CC=C(C)C)C(=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 50337
SMILES:CC(C)C1=CC2(NC3C(OC=O)CC4(C)OP(=O)(O3)Oc3cc(CCCCC)cc(O)c3C14)SCCS2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 569.682
CB1 binding score: -15.111
InChIKey:CKCXATBJYDEIPL-UHFFFAOYSA-N