ID: 58990
SMILES:c1(CCCC)c(O)ccc2c1CC(O)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 250.338
CB1 binding score: -15.207
InChIKey:WXRAKNWYAHCDIZ-UHFFFAOYSA-N
ID: 58991
SMILES:CC1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 58992
SMILES:C1C=C(C)CCC2C(C)(C)Oc3cc(C(O)=O)cc(O)c3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.655
InChIKey:MHDRNKFTCTYFRQ-UHFFFAOYSA-N
ID: 58993
SMILES:O(CC)c1cc2c(c3c1OC(CCCC(C)C)(C)C3)C=CC(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.469
InChIKey:LSJZHJVWVXRQTF-UHFFFAOYSA-N
ID: 58994
SMILES:Oc1c(C(C)C)c(O)c(C(O)=O)c2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -17.706
InChIKey:QKYPKMZFTKVJLX-UHFFFAOYSA-N
ID: 58995
SMILES:c1(CCCCC)cc2c(c(O)c1C(O)=O)OC(C)(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -16.251
InChIKey:QSONLQQKLBVXPJ-UHFFFAOYSA-N
ID: 58996
SMILES:O=C1C2C(O)(C(O)CC1C)C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -13.903
InChIKey:FXYSIIAXUDCVIZ-UHFFFAOYSA-N
ID: 58997
SMILES:C(C)(C)(O)C1C(c2c(O)cc(CCCCC)cc2O)C(O)C(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.734
InChIKey:GYHATTBPRGZVJM-UHFFFAOYSA-N
ID: 58998
SMILES:Oc1c(CC2C(C)(C)Oc3cc(C)cc(O)c32)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.355
CB1 binding score: -15.816
InChIKey:RPLCZXDCZJPFCY-UHFFFAOYSA-N
ID: 58999
SMILES:C1=C2C(C)(C)Oc3c(c(O)cc(CCCCC[N+]#C)c3)C2CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.471
CB1 binding score: -16.335
InChIKey:TZQNCEVVMOMTFN-UHFFFAOYSA-O
ID: 59000
SMILES:C(c1c(Cc2c(O)cc(CCCCC)cc2O)cc(O)c(CC=C(CCC=C(C)C)C)c1OC)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.754
CB1 binding score: -14.254
InChIKey:NCJQAISBZSMKFW-UHFFFAOYSA-N
ID: 59001
SMILES:c12cc(CCCCC)ccc1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 59002
SMILES:C12C(C)(CCC1C(C)(O)C)Oc1c(c(O)cc(CCCCC)c1O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.087
InChIKey:DTDKGUDAQRAVEV-UHFFFAOYSA-N
ID: 59003
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)C)c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.556
CB1 binding score: -16.533
InChIKey:BCJSUNGRJZGINJ-UHFFFAOYSA-N
ID: 59004
SMILES:c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 59005
SMILES:C(=C(C)C)CCC(=C)C=Cc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.761
InChIKey:RNUWJDBDWZBBGD-UHFFFAOYSA-N
ID: 59006
SMILES:Oc1c(CC=C(CCC=C(C)C)C)c(O)c(C(=O)O)c(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 59007
SMILES:c1(CC2(O)CCOC2=O)cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C(=O)C12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.432
CB1 binding score: -17.515
InChIKey:RHTDHKCUMIFGFQ-UHFFFAOYSA-N
ID: 59008
SMILES:C1=C(C)CC=CC(C)(C)Oc2cc(CCCCC)c(C(O)=O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -13.925
InChIKey:KGDVYUPRSRXQDB-UHFFFAOYSA-N
ID: 59009
SMILES:CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.242
InChIKey:SJDFNAPVHGXMGG-UHFFFAOYSA-N
ID: 59010
SMILES:C(CCCC)c1cc(O)c2c(c1)OC1(C)C2CC(C(C)C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.632
InChIKey:RJFHMNLDFSSEMV-UHFFFAOYSA-N