ID: 15688
SMILES:O=C(OC)C(=C)C1CC2C(C)(C)CCCC2(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.048
InChIKey:DMQAQZDBOATIOG-UHFFFAOYSA-N
ID: 15689
SMILES:C1C(=C)C2C(C1)C(C)(C)Oc1cc(C)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -17.97
InChIKey:QNXGCOZSFWLPLE-UHFFFAOYSA-N
ID: 15690
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(=O)C2(C)C3(O2)C2OC3C1(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.51
CB1 binding score: -17.032
InChIKey:OAGFTPCTMGCZQA-UHFFFAOYSA-N
ID: 15691
SMILES:C(CC=C(C)COC(C)=O)C1(C)CC2c3c(O)cc(CCC)cc3OC(C)(C1O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -14.256
InChIKey:VWHZDRMZSARMTL-UHFFFAOYSA-N
ID: 15692
SMILES:OC(C)(C)C1Oc2cc(CCCCC)cc(O)c2C1S
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.432
CB1 binding score: Not available
InChIKey:HPKNKXIOJHHABJ-UHFFFAOYSA-N
ID: 15693
SMILES:C1CC(C)(CCCC(CCCc2cocc2)C)Oc2c1c(O)cc(C)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.116
InChIKey:UTZVHWGBZLILOY-UHFFFAOYSA-N
ID: 15694
SMILES:C1(C(C)C)C2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(CC2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.714
InChIKey:JNNVODCJKNBTMX-UHFFFAOYSA-N
ID: 15695
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C(C(CO)CC2C=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.381
InChIKey:CDXFFLBQSDZOBM-UHFFFAOYSA-N
ID: 15696
SMILES:C12(C)C(=O)OC3CC(O)(C)c4c(cc(CCCCC)cc4O)OC(C)(C)C1(C3)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: Not available
InChIKey:BKXUERCVRATHEL-UHFFFAOYSA-N
ID: 15697
SMILES:C(C)CCCCc1cc2c(c(O)c1)OC(CCC=C(C)C)(C)CC2C(=O)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -16.048
InChIKey:AHLYBIGNXVYLSA-UHFFFAOYSA-N
ID: 15698
SMILES:C12C(C)(C)Oc3c(c(O)cc(CCCCC)c3O)C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.349
InChIKey:PVWKYDHSQZSCHQ-UHFFFAOYSA-N
ID: 15699
SMILES:C1=CC(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 15700
SMILES:C(=C)(C1CC=C(C)C(C)(CC=C(CCC=C(C)C)C)C1Cc1cc(C(OC)=O)c(O)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -15.226
InChIKey:YFJABCHIWZUFGX-UHFFFAOYSA-N
ID: 15701
SMILES:C1(O)(C)C2CCC(C(=O)OC)CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -14.516
InChIKey:CSTMXBHBVWFXMF-UHFFFAOYSA-N
ID: 15702
SMILES:C(C)CCCc1cc2c(c(O)c1)C1OC(C)(C)C3CCC(C)(CC13)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.447
InChIKey:TVUJOKURVLZKTH-UHFFFAOYSA-N
ID: 15703
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 15704
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 15705
SMILES:C(CCC)CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 15706
SMILES:C1(C)C(O)C2C(C(C)(C)Oc3cc(O)c(C(OC)=O)c(O)c32)C2CC(CO)=CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.486
CB1 binding score: -13.547
InChIKey:ULIZFJQYOUTMKC-UHFFFAOYSA-N
ID: 15707
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 15708
SMILES:C1(C(C)=C)C2C3C(c4c(c(I)c(O)cc4)CC3)Oc3c(c(O)cc(CCCCC)c3)C2C(C(O)(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 616.58
CB1 binding score: -14.774
InChIKey:YPEQQIKWUZCIFM-UHFFFAOYSA-N