ID: 31669
SMILES:CCCCCc1cc2c3c(c1O)OC(CCC1=C(C)CCC(=O)C1(C)C)(CC2)C(C)(C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -17.888
InChIKey:LNNZTWWGRLIELA-UHFFFAOYSA-N
ID: 31670
SMILES:C1C2C(C)(C)C[CH]C(C)(Oc3c1c(O)c(C=O)c(CCCCC)c3)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.487
CB1 binding score: -15.148
InChIKey:UTDHLCDJOFXGKR-UHFFFAOYSA-N
ID: 31671
SMILES:C1CC(C)=CC(c2c(O)cc(C)cc2O)C1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 31672
SMILES:CC1(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C2C1C=CC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.155
InChIKey:OIOMXLLUOCLBIP-UHFFFAOYSA-N
ID: 31673
SMILES:C(C(c1c(O)c2c(cc1)OC(C)(C)C1CC=C(C)CC21)C)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.15
InChIKey:JPUYPVFTCUFIDO-UHFFFAOYSA-N
ID: 31674
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(C)c-2c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -15.389
InChIKey:SMHWZLPMZWLPIC-UHFFFAOYSA-N
ID: 31675
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C3C1(C1C(OC3=O)C(OC(=O)C)C3(C)C(=C)C(OO)CCC31)C(=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 556.608
CB1 binding score: -12.485
InChIKey:NLMASZYGUGMAOF-UHFFFAOYSA-N
ID: 31676
SMILES:c1(CCCCC)cc(C2C(C(C)(C)O)CC(C(=C)C)CC2)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -12.01
InChIKey:NWTAFXDQSUSESX-UHFFFAOYSA-N
ID: 31677
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N
ID: 31678
SMILES:C1CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C2CC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.744
InChIKey:KHURPDCIULXOPM-UHFFFAOYSA-N
ID: 31679
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: 31680
SMILES:C1(=O)C2=C(C(C)(C)OC(=O)C2)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -13.677
InChIKey:OZILWLXAVDLRAA-UHFFFAOYSA-N
ID: 31681
SMILES:O=Cc1cc2c(cc1)C(C)(C)Oc1cc(CCCCC)cc(O)c1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.43
CB1 binding score: -12.22
InChIKey:UDHFWSVMOYGVGZ-UHFFFAOYSA-N
ID: 31682
SMILES:C1=C(C)CC2C(C(C)(C)Oc3c2c(OC)cc(C)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -15.636
InChIKey:KJEFXIYDVVKKFK-UHFFFAOYSA-N
ID: 31683
SMILES:O(C(C)=O)C(C=C(C)C)c1c(O)cc(O)c(CCc2cc(O)c3c(c2)OC(C)(C)C2CCC(C)(O)CCC23)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 538.681
CB1 binding score: -14.801
InChIKey:CNNAASARROUSOG-UHFFFAOYSA-N
ID: 31684
SMILES:C1(C)=CC(c2cc(CCCCC)ccc2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -16.502
InChIKey:BEHDXYLLPJASJD-UHFFFAOYSA-N
ID: 31685
SMILES:C1C=C(C(C)C)C(c2c(O)cc(CCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.875
InChIKey:YMCGCFGDLHZZGH-UHFFFAOYSA-N
ID: 31686
SMILES:O1c2cc(CCCC(O)C)cc(O)c2C2C(C(C)C)CCC(O)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.904
InChIKey:JWGCBPODXYOOIM-UHFFFAOYSA-N
ID: 31687
SMILES:CC1C2(Oc3c(c(O)cc(CCCCC)c3)C2O)C2C(C)(CCC1C(=C)C)C(=O)C(O)=C(C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.688
CB1 binding score: -13.307
InChIKey:LXPQOPDROJHFPA-UHFFFAOYSA-N
ID: 31688
SMILES:C(CC(=CCc1c(O)cc(CCC)cc1O)C)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 31689
SMILES:C(CCC)Cc1cc2c(c(O)c1O)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.996
InChIKey:XXGMIHXASFDFSM-UHFFFAOYSA-N