ID: 69679
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(CO)(C)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -17.481
InChIKey:RUCJJYDBJAIWNY-UHFFFAOYSA-N
ID: 69680
SMILES:OC(c1c2c(cc(O)c1C(C)O)OC(C)(C)C1C2CC(C)=CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -15.23
InChIKey:IVUNIFPIZPJNDR-UHFFFAOYSA-N
ID: 69681
SMILES:C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C(C)(C)C2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.015
InChIKey:XUDHUMFIMCVSFU-UHFFFAOYSA-N
ID: 69682
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 69683
SMILES:CCC1(Cc2c(O)cc(CCCCC)cc2O)CCC=C(CCC=C(C)C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.29
InChIKey:IXBFKNQBHPWAMK-UHFFFAOYSA-N
ID: 69684
SMILES:c1(CCCC)cc(O)c2c3c1OC(C)(C)C1CCC(C)(C#CCCC(=O)O3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -14.571
InChIKey:SMLUGJXUTNBAKO-UHFFFAOYSA-N
ID: 69685
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 69686
SMILES:C(C1=CC(c2c(O)cccc2)C(C(C)=C)CC1)CCC(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.417
InChIKey:VIMGNDKJMGOZHI-UHFFFAOYSA-N
ID: 69687
SMILES:CC1CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.334
InChIKey:VMDONILZKKAZDT-UHFFFAOYSA-N
ID: 69688
SMILES:CCCc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N
ID: 69689
SMILES:C1C(C)(CCC=C(C)C)C2C(C)(CC1)Oc1c(c(O)cc(CCCCCO)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -16.303
InChIKey:WUFIVSHZMHHBAA-UHFFFAOYSA-N
ID: 69690
SMILES:CCOC(=O)C1(C)CCc2cc(CCCCCCCCc3ccccc3)cc(OC)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 422.609
CB1 binding score: -14.271
InChIKey:IFMCAJXLJLSGCY-UHFFFAOYSA-N
ID: 69691
SMILES:C12C(C=C(CN(CC(C)O)Cc3ccccn3)CC1)C(O)(C)c1c(cc(C)cc1O)OC2(C)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.649
CB1 binding score: -13.849
InChIKey:GTYQURRELCQVIQ-UHFFFAOYSA-N
ID: 69692
SMILES:C1=CC2=Cc3c(O)cc(CCCCC[N+](C)(C=C)C)c(O)c3C(=O)C2=C(O)C1(CC=C(C)C)CC(OC)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.662
CB1 binding score: -15.033
InChIKey:CQMZIOXIBFMTJX-UHFFFAOYSA-O
ID: 69693
SMILES:CC1(C)C=Cc2c(cc(CCCCC)c(C(=O)O)c2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -18.748
InChIKey:AIWWNGHRWHAXTF-UHFFFAOYSA-N
ID: 69694
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1(O)CC(O)(C)C1OC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.372
InChIKey:WMCOZSLWZBJOSP-UHFFFAOYSA-N
ID: 69695
SMILES:O=C(C)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(OC)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.793
InChIKey:ARPFNHAVIIGPRR-UHFFFAOYSA-N
ID: 69696
SMILES:c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1CCC(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.519
InChIKey:LTSXHLMDJMLPLY-UHFFFAOYSA-N
ID: 69697
SMILES:CC(OC(=O)C)(CCCCc1cc2c(c(O)c1)C1C(CC2)C(C)(C)Oc2c1c(O)c(CC(CC=C(C)C)C(=C)C)c(O)c2C=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 632.838
CB1 binding score: -14.309
InChIKey:FDNBTFBSWFCAIB-UHFFFAOYSA-N
ID: 69698
SMILES:C1(=O)C(CCCCC(C)=C)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1OC=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -16.608
InChIKey:WHJNDSKDJMFLHG-UHFFFAOYSA-N
ID: 69699
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=CCC(C)(O)CC1(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -13.254
InChIKey:ZPUXVYKLUQFWEH-UHFFFAOYSA-N