ID: 92695
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CC(C)=C2)C(C)(C)Oc2ccc(C(OC)=O)cc2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.603
CB1 binding score: -12.642
InChIKey:PNHCZCAHBIIZLW-UHFFFAOYSA-N
ID: 92696
SMILES:C12C(C)(Oc3ccc(CCCCC)cc31)C(O)CC1(C)C(C2=C)CC(=O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -16.278
InChIKey:DTNWQYSJDCCRMB-UHFFFAOYSA-N
ID: 92697
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(CCC=C(C)C)C2)c2ccccc2o1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.594
CB1 binding score: -14.742
InChIKey:LZVSRQYRSIDZKQ-UHFFFAOYSA-N
ID: 92698
SMILES:O=C(O)c1c(CCCCC)cc2c3c1OC(C)(C)C1CCC(C)(O2)C31
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.419
InChIKey:PQQCKZNSFBSVHA-UHFFFAOYSA-N
ID: 92699
SMILES:Oc1c(C(C(C)CC)=O)c(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.623
InChIKey:IMSVGLKXHSIHJX-UHFFFAOYSA-N
ID: 92700
SMILES:C(=C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 92701
SMILES:Oc1c(C(CC(O)C)O)c(C(OCC)=O)c2c(c1C)OC(C)(C)C1C2C=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -14.865
InChIKey:YNYXZXOYHSEQJL-UHFFFAOYSA-N
ID: 92702
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 250.338
CB1 binding score: -16.098
InChIKey:VSNBZVABXZVZLP-UHFFFAOYSA-N
ID: 92703
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C3C=C(C)CCC3C(C)(CC1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.961
InChIKey:IGABRMWOZQXSHS-UHFFFAOYSA-N
ID: 92704
SMILES:CC1(C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CCC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.178
InChIKey:FRPLIPHVGOMVFW-UHFFFAOYSA-N
ID: 92705
SMILES:OC(C(C)=CCc1c(O)c(C2C(C(C)=C)CCC(C)=C2)ccc1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.519
InChIKey:QDIWPCLYZKAMTH-UHFFFAOYSA-N
ID: 92706
SMILES:C1C=C(C)C2C(OO)C1C(C)(C)Oc1c2ccc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.623
InChIKey:XTUNUGYUXYKOOU-UHFFFAOYSA-N
ID: 92707
SMILES:C12C(C(O)=O)CCC1C(C)(C)Oc1cc(C)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -16.231
InChIKey:YGWYLPUKERLLBN-UHFFFAOYSA-N
ID: 92708
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CCOC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.413
InChIKey:NKQTWBIMELIHDD-UHFFFAOYSA-N
ID: 92709
SMILES:C(Cc1c2c3c(cc1O)OC(C)(C)C1CCC(C)(C31)O2)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.31
InChIKey:GPZFXXIXMCYBLQ-UHFFFAOYSA-N
ID: 92710
SMILES:C1(Cc2c(O)c(C(OC)=O)c(CCCCC)cc2O)C(C)(C)C2CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -14.777
InChIKey:JAQCTCDKPDJMSG-UHFFFAOYSA-N
ID: 92711
SMILES:C(Cc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(OC)c1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.502
InChIKey:JWKOFASCHZPWMG-UHFFFAOYSA-N
ID: 92712
SMILES:Oc1c2c(cc(CCCC)c1)OC(C)(C)C1CC(O)C(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.962
InChIKey:MVBUZUVPKJXXNR-UHFFFAOYSA-N
ID: 92713
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 92714
SMILES:C1(C)=CC(c2ccc(C)cc2O)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.801
InChIKey:MISWBPJELUDMFI-UHFFFAOYSA-N
ID: 92715
SMILES:C(=CC1C2(C=CCC2C)c2c(cc(CCCCC)cc2O)O1)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.668
InChIKey:XPLTTZIMFSAQEO-UHFFFAOYSA-N