ID: 91603
SMILES:C1(C)C2=C(c3c(cc(C)cc3O)OC2(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -15.858
InChIKey:HCFRRYVZDQRHOJ-UHFFFAOYSA-N
ID: 91604
SMILES:Cc1c2oc(c1-c1c(O)c(OC)c(CCCCC)cc1O)OC(C)(C)C1CCC(=C)C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -17.45
InChIKey:CRVZMLASOHUELJ-UHFFFAOYSA-N
ID: 91605
SMILES:CC1=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 91606
SMILES:C(CCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2)C=CC1C(C)=CCCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.686
CB1 binding score: -16.22
InChIKey:LGLJQYRHKSFZIS-UHFFFAOYSA-N
ID: 91607
SMILES:CC(=CCC(OC)C(C)CC(=O)OC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -15.808
InChIKey:MBZOKXROCSJQEI-UHFFFAOYSA-N
ID: 91608
SMILES:C(C)(OC1(C)CC(O)C2(O)C1(C)C(=O)C1=C(C2=O)OC(C)(C)C2C1C=C(C)CC2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.486
CB1 binding score: -14.597
InChIKey:BLBGDYYVIWQIKV-UHFFFAOYSA-N
ID: 91609
SMILES:C12(O)C(CCC1CO)C(C)(C)Oc1cc(CCCCC)c(C=O)c(O)c1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -12.993
InChIKey:RVRZNYZDMSDFOR-UHFFFAOYSA-N
ID: 91610
SMILES:c1(O)c2c(cc(CCCCC)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: 91611
SMILES:Oc1c(CC=C(C)C)cc(O)c(CC=C(C)CCC=C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.051
InChIKey:TXLIVWXFPYVBTA-UHFFFAOYSA-N
ID: 91612
SMILES:C1(C(C)C)=CC(=O)C(C)(O)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -19.338
InChIKey:OAQZAANESJZUIA-UHFFFAOYSA-N
ID: 91613
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 91614
SMILES:C1=C(C)C(O)CC2C(C)(C)Oc3c(c(O)cc(CCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.962
InChIKey:MVBUZUVPKJXXNR-UHFFFAOYSA-N
ID: 91615
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 91616
SMILES:CC12Oc3c(c(O)cc(CCCCC)c3)C=C1C(O)(C)CCC2C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -12.644
InChIKey:CEYAHFBXTLEYRI-UHFFFAOYSA-N
ID: 91617
SMILES:Oc1cc(O)c2c(c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.624
InChIKey:ZZWZWPVQXHMOQM-UHFFFAOYSA-N
ID: 91618
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.097
InChIKey:DOHVDEFPMXEKCG-UHFFFAOYSA-N
ID: 91619
SMILES:C1(C)=CCC2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 91620
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)CC1)=CC(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.671
InChIKey:RPUCSVBKEJVMEL-UHFFFAOYSA-N
ID: 91621
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1C=C(COC(C)=O)CCC1CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -16.167
InChIKey:BTYZISYCIHHXCY-UHFFFAOYSA-N
ID: 91622
SMILES:C1CC(Cl)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.838
CB1 binding score: -15.485
InChIKey:PRDBJVMSTJKZCU-UHFFFAOYSA-N
ID: 91623
SMILES:C1=CC(C)(C)Oc2c1c(O)cc(CCc1ccc(O)c(CC=C(C)CCC=C(C)C)c1)c2
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.604
CB1 binding score: -15.542
InChIKey:FFTXAKJDSCEURF-UHFFFAOYSA-N