ID: 54895
SMILES:C1CCC2=Cc3c(O)cc(CCCCC)c(C(=O)O)c3OC2(C)CC=CC1(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -15.127
InChIKey:QEYLSJLDRJIJPJ-UHFFFAOYSA-N
ID: 54896
SMILES:C1=C(C)CC2c3c(O)cc(C)cc3OC3(C)C=CC1C23
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 268.356
CB1 binding score: -15.246
InChIKey:RVVITJCOSGFHQT-UHFFFAOYSA-N
ID: 54897
SMILES:C1(=O)C=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(OC)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -13.529
InChIKey:JQJQFBLSRJYKIJ-UHFFFAOYSA-N
ID: 54898
SMILES:O1c2cc(CCCCC)cc(O)c2C2C3C(C)(O1)OCC3C(=O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.368
CB1 binding score: -14.729
InChIKey:NRRMCQYWJBQJQW-UHFFFAOYSA-N
ID: 54899
SMILES:c1(CCCCC)cc(O)c2c(c1)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: 54900
SMILES:O=Cc1c(O)c2c(cc1CCC)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.309
InChIKey:HMMRTLFRUAPAKB-UHFFFAOYSA-N
ID: 54901
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3OC(C)(CCCC1C)C2C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.285
InChIKey:SUMAEZYGYQYIMU-UHFFFAOYSA-N
ID: 54902
SMILES:CC(CC)C(=O)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -15.469
InChIKey:AFMYESDBSKRWPC-UHFFFAOYSA-N
ID: 54903
SMILES:CC(CCC=C(C)CCC=C(C)C)=CCc1c(O)c(C(O)=O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 54904
SMILES:C1C(=C)C(Cl)C2c3c(O)cc(C)cc3OC(C)(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.806
CB1 binding score: -15.929
InChIKey:YFMHCUUOVSOSOX-UHFFFAOYSA-N
ID: 54905
SMILES:C(C)(C)=CCCC(=CCc1c(O)cc(O)c(C2C(C(C)=C)CCC(C)=C2)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -17.426
InChIKey:VEMSIANQFMHFRO-UHFFFAOYSA-N
ID: 54906
SMILES:CCCCCc1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C(CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -16.792
InChIKey:CAJDAYRPLNMLDG-UHFFFAOYSA-N
ID: 54907
SMILES:CC(=CCCC(C)=CCc1c(O)c(CCC)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.708
InChIKey:RPJFNDMWNLYLOA-UHFFFAOYSA-N
ID: 54908
SMILES:CC(C)CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -19.765
InChIKey:ZFEXKIZLCYYFTO-UHFFFAOYSA-N
ID: 54909
SMILES:CC1(C)Oc2c(c(O)ccc2O)C2C=C(CCC=C(C)C)CCC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.509
InChIKey:PCBDIZCJMLSAOM-UHFFFAOYSA-N
ID: 54910
SMILES:C(C)CC(=O)Oc1cc2c(cc1C(C)=O)OC1(C2)C(C)(C)OC(C)(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -13.024
InChIKey:SVDSGRAVIATLHI-UHFFFAOYSA-N
ID: 54911
SMILES:C1C(O)C(C)C2=C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.358
InChIKey:PAGJDQJXTWYBKN-UHFFFAOYSA-N
ID: 54912
SMILES:Oc1c(C(=O)C(C)CC)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.563
InChIKey:KFHWFLUEGBMEIL-UHFFFAOYSA-N
ID: 54913
SMILES:C(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 54914
SMILES:C1OC2(C(C)(O)C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -15.752
InChIKey:ODZBKNMUSXGQET-UHFFFAOYSA-N
ID: 54915
SMILES:C1(C(=C)C)C(c2c(CCCCC)cc(O)c(CC=C(C)C)c2)CC2CC(=C1)CC(=O)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -12.547
InChIKey:QRLDLIXQZOUWAR-UHFFFAOYSA-N