ID: 77092
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC(O)C(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.967
InChIKey:XTDYIISRNODHHT-UHFFFAOYSA-N
ID: 77093
SMILES:C1(OC(C)=O)C2C(O)C(O)CC1C(=O)c1c(cc(CCCCC)cc1)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -14.598
InChIKey:KUMNAILLVOUFEB-UHFFFAOYSA-N
ID: 77094
SMILES:CC(OC1CC(C)(O)C2CC(C(=C)C)(Oc3cc(CCCCC)cc(O)c32)C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -13.472
InChIKey:FLUUROHKRLDHTF-UHFFFAOYSA-N
ID: 77095
SMILES:C1=C(C)CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 77096
SMILES:C12C=C(C)CCC1C(C)(C)Oc1c2ccc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N
ID: 77097
SMILES:C(CCO)Cc1cc2c(c(O)c1)C1C=C(C)C(O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.044
InChIKey:SGGQAOBXPJNCEY-UHFFFAOYSA-N
ID: 77098
SMILES:C12=C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.524
InChIKey:USODFRMMCODFKQ-UHFFFAOYSA-N
ID: 77099
SMILES:C(=CCC1C(C)(C)Oc2cc(C)cc(O)c21)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 272.388
CB1 binding score: -13.629
InChIKey:SXFICAPQKIYJLC-UHFFFAOYSA-N
ID: 77100
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 77101
SMILES:C1(C(OC(=O)C)(C)C)C(c2c(OC(=O)C)cc(CCCCC)cc2O)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -16.431
InChIKey:OUSCUZKLNPWGOD-UHFFFAOYSA-N
ID: 77102
SMILES:C1C(C)(C)C2CCC1(C)C2(C)c1c(OC(=O)C)cc(CCCCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -11.784
InChIKey:SLHXIEVQKAYHAW-UHFFFAOYSA-N
ID: 77103
SMILES:c1(O)c(CC=C(C)C)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.706
InChIKey:GBCNMMNDPBHHDP-UHFFFAOYSA-N
ID: 77104
SMILES:C(CC)Cc1cc(O)c2c3c1C(=O)OC21C(C(C)(C)O3)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -11.895
InChIKey:KGQLFYGFROOASL-UHFFFAOYSA-N
ID: 77105
SMILES:CC(=CCCC(C)=CCc1cc(CC)cc(O)c1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.898
InChIKey:WWSRURIXPOMBSC-UHFFFAOYSA-N
ID: 77106
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.524
InChIKey:USODFRMMCODFKQ-UHFFFAOYSA-N
ID: 77107
SMILES:c1(O)c2c(cc(C)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 77108
SMILES:C(CCCC(C)C1=C(C)CCC(C(C)=CCCC(C)C)C1c1cc(O)cc(C)c1O)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.684
CB1 binding score: -14.847
InChIKey:ZUPOXIYYIWBTMD-UHFFFAOYSA-N
ID: 77109
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -18.166
InChIKey:FGEQAFJXCIBXCD-UHFFFAOYSA-N
ID: 77110
SMILES:C1(C)(C)CCCC(C)=C1C(OC(=O)C)CC1(C)C=Cc2c(c(Cl)c(C)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.961
CB1 binding score: -13.295
InChIKey:QFTFHUARKOLNHO-UHFFFAOYSA-N
ID: 77111
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 77112
SMILES:C1(C)=CC2C(C(C)(C)Oc3ccc(CCCCC)cc32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.248
InChIKey:ULSCPFQNHAPIEH-UHFFFAOYSA-N