ID: 71653
SMILES:OC1C(C)=C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.599
InChIKey:PTQYBHYQVKEBSL-UHFFFAOYSA-N
ID: 71654
SMILES:C12C(C)(CCC=C(C)C)Oc3cc(CCCCC)cc(O)c3C1=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -16.342
InChIKey:HRILBCRPFRENAP-UHFFFAOYSA-N
ID: 71655
SMILES:c1(O)c(C)cc(O)c(CC=C(CCC=C(C)C)C)c1CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.929
InChIKey:IOFAHCAWFYJNMX-UHFFFAOYSA-N
ID: 71656
SMILES:C1(c2c(O)cc(CCCCCO)cc2OC)C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.957
InChIKey:UJYIVYWDQFGCJM-UHFFFAOYSA-N
ID: 71657
SMILES:C(C)CCCCc1ccc2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -17.852
InChIKey:KTVUXMGMEPPINC-UHFFFAOYSA-N
ID: 71658
SMILES:C12CC(C)(Oc3c1c(O)cc(CCCCC)c3O)C1CC(C)(C)CCC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.574
InChIKey:QPIRQLHZLMRASG-UHFFFAOYSA-N
ID: 71659
SMILES:C(=C(C)CCC=C(C)C)Cc1c(O)cc(C(CCCCCC)O)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -16.813
InChIKey:MPANUSKYWUBJQM-UHFFFAOYSA-N
ID: 71660
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 71661
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 71662
SMILES:C1C(C)=CCC2C(C)(C)Oc3ccc(O)cc3C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.922
InChIKey:RHPUFQPZVXFHBN-UHFFFAOYSA-N
ID: 71663
SMILES:c1(OC)c(C2C=C(C)CCC2C(C)=C)ccc(C=O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -18.625
InChIKey:GYIHBOAOMZBFAW-UHFFFAOYSA-N
ID: 71664
SMILES:O=C(c1c2c(c(O)c(C(=O)CCC)c1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.859
InChIKey:KADBKRARABJMII-UHFFFAOYSA-N
ID: 71665
SMILES:C1CCC2(C)C(=C1C)C(=O)C1C(C)(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -14.863
InChIKey:IHNHFTZBHFUPJK-UHFFFAOYSA-N
ID: 71666
SMILES:C12(C)Oc3c(c(O)cc(C(C)CCCCCC)c3)C3C1C(C)(CCC3C(CCC=C(C)C)=C)C(O)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.732
CB1 binding score: -15.075
InChIKey:NVGWAQFVLHQUBT-UHFFFAOYSA-N
ID: 71667
SMILES:C(C=C(C)C)CC1=CC2C(CCC(C)=C2)C(C)(C)OC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: Not available
InChIKey:OKVBPUKRZLTJIU-UHFFFAOYSA-N
ID: 71668
SMILES:c1(O)c(CCCCC)cc2c(c1O)C1C(CC=C(CCC=C(C)C)C)(O)C(C)(CC(C)=C1C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: -16.484
InChIKey:MGWUCOOYKSDXQJ-UHFFFAOYSA-N
ID: 71669
SMILES:C(C(C)(C)C)(=O)Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC(O)C(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -13.98
InChIKey:OWEWCMSPXPHTKC-UHFFFAOYSA-N
ID: 71670
SMILES:C(c1c2c(ccc1)C(=O)OC2)C(CC(C)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.641
CB1 binding score: -14.898
InChIKey:CNYAYFLNJUKHCT-UHFFFAOYSA-N
ID: 71671
SMILES:Cc1c(Oc2cc(CC(C(CCC=C(C)C)(C#CC=C(C)C)O)C)cc(O)c2)cc(O)c(CC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.721
CB1 binding score: -13.838
InChIKey:AKWYQTLVJLNJSG-UHFFFAOYSA-N
ID: 71672
SMILES:c1(CCCC)cc(O)c2c(c1)C#CC(=C)CCC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.411
CB1 binding score: -15.061
InChIKey:GQWZYPWONVIDBW-UHFFFAOYSA-N
ID: 71673
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N