ID: 86584
SMILES:C(C)(C)(O)C(CCC(C)=CCCC(=CCc1c(O)cc(CCC)cc1O)C)OC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -16.687
InChIKey:XRVJWALXFYXWLO-UHFFFAOYSA-N
ID: 86585
SMILES:c1(OC2OC(COC(C)=O)C(OC(=O)C)C(O)C2O)c(CCCCC)c(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 630.819
CB1 binding score: -15.074
InChIKey:ROIFXIZQGIBGAM-UHFFFAOYSA-N
ID: 86586
SMILES:C1(C(OC)=O)C(C)(C)OC(C)(c2c(O)ccc(CCCCC)c2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -14.437
InChIKey:FAPRHWUEXKBCEP-UHFFFAOYSA-N
ID: 86587
SMILES:c12c(cc(CCC)cc1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 86588
SMILES:CC(C)=CCCC(C)=CCC1C(C)(C)Oc2ccc(O)cc2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.907
InChIKey:VVSSXFXFLJLNLZ-UHFFFAOYSA-N
ID: 86589
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)(OC)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -16.167
InChIKey:QYJGHZXOIWLFTA-UHFFFAOYSA-N
ID: 86590
SMILES:C1=C(C)C(C2C(C)(C)Oc3c2cc(O)cc3)C(=O)C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -13.816
InChIKey:LKOIRGHMXGZHNP-UHFFFAOYSA-N
ID: 86591
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 86592
SMILES:C(=CC=C(C)C)C(O)(C)CCCC(=CCc1c(O)c(C)cc(OC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.066
InChIKey:VJGHFZZAWMBWDZ-UHFFFAOYSA-N
ID: 86593
SMILES:C1(C)(C(CC(C)C)c2c3c(cc(C)c2O)OC(C)(C)C=C3)OC(C(C)(C)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -13.264
InChIKey:RCPHLGNUTJYQKA-UHFFFAOYSA-N
ID: 86594
SMILES:c1(C2C(CC(C(O)(C)C)OC(C)=O)C(C)=CC2=O)cc(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -13.742
InChIKey:IINJFPODYYGBKD-UHFFFAOYSA-N
ID: 86595
SMILES:CC(C(=O)OC1C2(C)Oc3c(c(O)cc(CCCC)c3)C2C(C)=CC1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -14.187
InChIKey:DVSAPUMQYYFXHP-UHFFFAOYSA-N
ID: 86596
SMILES:C(C)Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.196
InChIKey:DFJQDSHPYZAGQZ-UHFFFAOYSA-N
ID: 86597
SMILES:CC(CCCC(C)=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -17.054
InChIKey:YDEZBLGFVPGHEB-UHFFFAOYSA-N
ID: 86598
SMILES:C(C(=O)C)CC(C)=CCCC1(C)Oc2c(cc(O)cc2C)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.502
InChIKey:YWFVEXGPJBYAPH-UHFFFAOYSA-N
ID: 86599
SMILES:C1C(O)C(C)(CCC=C(C)C)Oc2c1c(O)cc(CCCCC)c2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.076
InChIKey:DGYADGILUPASIB-UHFFFAOYSA-N
ID: 86600
SMILES:O=C(c1c(O)cc(CCCCC)cc1O)C=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.768
InChIKey:NXXHMSMYWFOUJV-UHFFFAOYSA-N
ID: 86601
SMILES:C1(CCC=C(C)CO)(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.94
InChIKey:BGLRGVYNEUIEHF-UHFFFAOYSA-N
ID: 86602
SMILES:C(C)Oc1cc(CCc2c(CC3C(C)CCCC3(C)C)c(O)c3c(c2C)OC(C)(C)C2C3CC(C)=CC2)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 560.819
CB1 binding score: -17.783
InChIKey:MEGAUEXTWIZZCC-UHFFFAOYSA-N
ID: 86603
SMILES:C(=O)(OC)C(C=O)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -15.599
InChIKey:RKBWIZXCZNAYLD-UHFFFAOYSA-N
ID: 86604
SMILES:c1c(O)ccc2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N