ID: 91624
SMILES:C1(c2c(O)cc(CCCCC(=O)O)cc2O)CC(C)CC(C)C1C=CC(=O)OC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -13.842
InChIKey:KONVEMPJTPELOK-UHFFFAOYSA-N
ID: 91625
SMILES:c1(CCCCC)cc(O)c(C2C(C(=C)COC(C)=O)CCC(CO)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -12.236
InChIKey:ATKVYQWCWWHDAY-UHFFFAOYSA-N
ID: 91626
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 91627
SMILES:C(CC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C=C(C)CCC=C(C)C)(=O)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.677
CB1 binding score: -16.875
InChIKey:YMKTUAMJWQFPHT-UHFFFAOYSA-N
ID: 91628
SMILES:Oc1c(O)c2c(cc1C)OC(C)(C)C1CCC(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -16.859
InChIKey:HAXVIXFJYOFNHO-UHFFFAOYSA-N
ID: 91629
SMILES:C1(=O)C(C)CCC2C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c3C12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -14.876
InChIKey:HTFQGJWAPZZZRN-UHFFFAOYSA-N
ID: 91630
SMILES:C1C2C(C(C(=O)O)=CC1)c1c(O)cc(CCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -16.149
InChIKey:MXLXTUKLNDWKNE-UHFFFAOYSA-N
ID: 91631
SMILES:C(CCCc1cc2c(c(O)c1C(O)=O)C=CC(C)(CCC=C(C)C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.775
InChIKey:HRHJHXJQMNWQTF-UHFFFAOYSA-N
ID: 91632
SMILES:C(C(OC1C(C)=CC2c3c(cc(CCCCC)cc3OC(C)=O)OC(C)(C)C2C1)=O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -16.213
InChIKey:UGYOVTRMVLSSML-UHFFFAOYSA-N
ID: 91633
SMILES:C(C)(O)(C)C=CCC(=CCc1c(O)cc(CCc2cc(O)cc(O)c2)cc1O)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -14.599
InChIKey:LZEDMXKYPVEXFS-UHFFFAOYSA-N
ID: 91634
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c4c(cccc4)[n+](O)c3C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.417
CB1 binding score: -15.929
InChIKey:ABCOTTYEASOQKS-UHFFFAOYSA-N
ID: 91635
SMILES:C(Cc1cc(O)c(C2C=C(C)CC(c3ccc(CCCCC)cc3)C2C(C)=C)=C(C)c1)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.675
CB1 binding score: -16.143
InChIKey:CUAGGGBLFVFPTJ-UHFFFAOYSA-N
ID: 91636
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(CO)=CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.946
InChIKey:WQBXKWRSYPXFMH-UHFFFAOYSA-N
ID: 91637
SMILES:O(C)c1cc(O)c2c(c1CC=C(C)CCC=C(C)C)c(O)c1c(c2)OC(C)(C)C2CCC(C)(O)C(CCC(C)=C)C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 562.791
CB1 binding score: -14.057
InChIKey:VKWATNAAUYMVMG-UHFFFAOYSA-N
ID: 91638
SMILES:CC(C)CC(c1c(O)c2c(c(C(=O)C(CC)C)c1O)OC(C)(C)C1CC=C(C)CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -11.596
InChIKey:HPKBNKAWEBIZAX-UHFFFAOYSA-N
ID: 91639
SMILES:O1C23C1(C)CC(c1c(O)cc(CCCCC)cc1O2)C=C(C)CCC3C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -16.035
InChIKey:RVYNJZJKPRYIOL-UHFFFAOYSA-N
ID: 91640
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.442
InChIKey:FRBSLGKYEBNHLH-UHFFFAOYSA-N
ID: 91641
SMILES:C1(C)(C)C2C(C)(C3C=C4C(=O)C(C)(CC)CC4=CC3)CC(=O)C2(O)Oc2c1c(O)cc(C)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.575
CB1 binding score: -12.725
InChIKey:VRAFXHWNZLZSSZ-UHFFFAOYSA-N
ID: 91642
SMILES:C(Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.691
InChIKey:JUCOHRGEXRGBDB-UHFFFAOYSA-N
ID: 91643
SMILES:CCCCCCc1cc2c(cc1O)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.119
InChIKey:YJBACYJGJWKZBF-UHFFFAOYSA-N
ID: 91644
SMILES:CCCCCc1cc2c(c(O)c1)C1(O)C(CC2C(C)(O)C)C(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.637
InChIKey:FIJXDEMHDRNUDW-UHFFFAOYSA-N