ID: 54118
SMILES:C(C)(=CCc1c(O)cc(CCCCC)cc1O)CCC=C(C)CCC=C(C)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.603
CB1 binding score: -17.729
InChIKey:WZDUUHXKANYACO-UHFFFAOYSA-N
ID: 54119
SMILES:C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 54120
SMILES:C(CCCC)c1cc2c(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: 54121
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 54122
SMILES:CC(=C)C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.515
InChIKey:VNLYLBRAWHNZFD-UHFFFAOYSA-N
ID: 54123
SMILES:C1C(C)=CCC2C(C)(C)Oc3c(c(O)cc(CCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 54124
SMILES:C(C)C1(O)CCC(C(C)=C)C(c2c(O)c(C(OC)=O)c(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -16.664
InChIKey:NLWTZBYKRPYVLF-UHFFFAOYSA-N
ID: 54125
SMILES:C(Cc1cc(OC)cc2c1OC(CCC=C(C)C)(C)C=C2)(C)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -12.167
InChIKey:YCEXLGDLNGDWGP-UHFFFAOYSA-N
ID: 54126
SMILES:C12C(C)CCC(C)=C(CO)C1C(C(O)=O)CC21CC2C1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.688
CB1 binding score: -14.724
InChIKey:CWTYQJOFFUYXAX-UHFFFAOYSA-N
ID: 54127
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.458
InChIKey:LZFSGTNLAZDDKK-UHFFFAOYSA-N
ID: 54128
SMILES:C12CC=C(C)CC1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.485
InChIKey:UOLFVTXVWQDBHF-UHFFFAOYSA-N
ID: 54129
SMILES:Oc1c2c(c(C(CC(C)C)=O)c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.454
InChIKey:DRGZMEOMFRCYTD-UHFFFAOYSA-N
ID: 54130
SMILES:c1cc(CCCC)c(C)c2c1CC(O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -15.929
InChIKey:DIKZNDRXSYFIHW-UHFFFAOYSA-N
ID: 54131
SMILES:c1(C(CCCC(C)C)(C)C2C=C(C)CCC2C(=C)C)cc(O)c(C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 370.577
CB1 binding score: -12.884
InChIKey:RCGDEBQWSPWBKG-UHFFFAOYSA-N
ID: 54132
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CCC2=C)C(C)(O)CCC1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.632
InChIKey:KWQIWCDLJFSYSN-UHFFFAOYSA-N
ID: 54133
SMILES:Cc1c(CCCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.527
InChIKey:ADYCLARNGCYRSF-UHFFFAOYSA-N
ID: 54134
SMILES:CC1=CCC2C(C1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 54135
SMILES:C12C=CC3(CC=C(C)C1=O)Oc1c(c(CCC(C=C)C)c(C)cc1O2)OC3(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.511
CB1 binding score: -16.502
InChIKey:IFLCTSDAKRYKEL-UHFFFAOYSA-N
ID: 54136
SMILES:CC(C)C1C(c2c(O)cc(CCCCC)cc2O)C=C(COC(C)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -17.007
InChIKey:KDNNPXMACKUHBU-UHFFFAOYSA-N
ID: 54137
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 54138
SMILES:c1(O)c2c(cc(C(CCC(OC(=O)C)C(CC)C)C)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: Not available
InChIKey:NUNQAKDWXYXNOR-UHFFFAOYSA-N