ID: 42085
SMILES:O1C2CC(C)(Oc3cc(CCCCC)cc(O)c31)CCC2C(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -14.382
InChIKey:ZHOCPWDHIKGEOV-UHFFFAOYSA-N
ID: 42086
SMILES:C(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C(=O)C(O)(C)CC1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.282
InChIKey:IBFQYNJVSRRPAA-UHFFFAOYSA-N
ID: 42087
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 42088
SMILES:CC(C)=CCCC(=CCc1c(O)cc(CCCCC)c(C(=O)OCCCC)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.593
InChIKey:QKVIVHZEBNDJBB-UHFFFAOYSA-N
ID: 42089
SMILES:C(=O)(OCc1cc(OC)c(O)c2c1OC(C)(C)C1CCC(COC(C)=O)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.459
CB1 binding score: -14.006
InChIKey:BBLSTQZOFLWVMV-UHFFFAOYSA-N
ID: 42090
SMILES:C(CC(C)=CCc1cc(O)cc(C)c1O)CC(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.162
InChIKey:GVVUQQWWMGBFAL-UHFFFAOYSA-N
ID: 42091
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=CC(=O)C(C)(O)C21)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -11.236
InChIKey:WLVQKVZVOLFICZ-UHFFFAOYSA-N
ID: 42092
SMILES:c1(O)c2c(c(O)c(CC=C(CCC=C(C)C)C)c1)OC(C)(C)C1C2CC(C(=O)O)(O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -13.521
InChIKey:DFCDSZDDDVRGTG-UHFFFAOYSA-N
ID: 42093
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 42094
SMILES:O=c1c2c(cc(CCCCC)cc2O)OC(C)(CCC=C(C)CCC=C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.568
InChIKey:BZKPQULDLADYRW-UHFFFAOYSA-N
ID: 42095
SMILES:CC(C1CC(C(=O)O)C2C(c3c(O)cc(CCCCC)cc3O2)O1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -17.206
InChIKey:SEMVUGGHXGOWNW-UHFFFAOYSA-N
ID: 42096
SMILES:c1(OC(C)=O)c(CC=C(C)CCC=C(C)C)c(O)c2c(c1CCCCC)OC(C)(C)C1=C2CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.743
CB1 binding score: -13.912
InChIKey:OWRXOLALBXJSQO-UHFFFAOYSA-N
ID: 42097
SMILES:Oc1c(C(O)=O)c(CCCCC)cc2c1C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.775
InChIKey:HRHJHXJQMNWQTF-UHFFFAOYSA-N
ID: 42098
SMILES:C(CC)CCCc1cc2c(c(O)c1)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.458
InChIKey:LZFSGTNLAZDDKK-UHFFFAOYSA-N
ID: 42099
SMILES:C(=C(C)C)CCC(C)=CCc1c(O)c(C(=O)OC)c(CCCCC)cc1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -16.828
InChIKey:WYGVLMYOLCVUFG-UHFFFAOYSA-N
ID: 42100
SMILES:CC1(C)Oc2c(ccc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 42101
SMILES:C12C(C)(C)Oc3cc(CCCC)cc(O)c3C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 42102
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C(O)=O)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 42103
SMILES:c1(CC(=O)O)cc(O)c2c(c1)OC(C)(C)C1CCC(C(=O)OC)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.379
CB1 binding score: -14.784
InChIKey:NPZNGPZQVQGABK-UHFFFAOYSA-N
ID: 42104
SMILES:C(CC)CCc1c(-c2cc(CCC=C(C)C)co2)c(O)c2c(c1)OC(C)(C)C1C2(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.663
CB1 binding score: -15.568
InChIKey:UTTHMWZAIPHVPX-UHFFFAOYSA-N
ID: 42105
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N