ID: 52081
SMILES:CC1=C2C(O)(c3c(O)cc(CCCCC)c(C(=O)O)c3O2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.434
InChIKey:TXWDJILPOYHJKV-UHFFFAOYSA-N
ID: 52082
SMILES:c1(C=O)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -16.929
InChIKey:KCSSLCDTEFCDAH-UHFFFAOYSA-N
ID: 52083
SMILES:CC1(CCC=C(C)C)OC2=C(C1=Cc1ccc(O)c(OC(C)=O)c1)C=CC(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.51
CB1 binding score: -13.814
InChIKey:RXWFRSXTNPTXCC-UHFFFAOYSA-N
ID: 52084
SMILES:CC(C)=CCCC(=CCc1c(OC)cc(CCCCC)c(C(OC)=O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -17.92
InChIKey:XAKJNANHSIAGQQ-UHFFFAOYSA-N
ID: 52085
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -17.816
InChIKey:NCTPTXLQSGFPEQ-UHFFFAOYSA-N
ID: 52086
SMILES:c1(CC=C)c(O)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.49
InChIKey:MQZCNZNVIXSGTB-UHFFFAOYSA-N
ID: 52087
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 52088
SMILES:CC(CO)=CCCC(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -18.748
InChIKey:UHRCXKCSCBRZGD-UHFFFAOYSA-N
ID: 52089
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1=CC(=O)C(C)(CC2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.171
InChIKey:FGXXXSJSOXPKFK-UHFFFAOYSA-N
ID: 52090
SMILES:CCCCCc1cc2c(c(O)c1C=O)OC1(C)C(OC2=O)C(C=C(C)C)CC2(C)CC=C(CO)CCC12O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.67
CB1 binding score: -12.687
InChIKey:KIMSMNPOIITBHS-UHFFFAOYSA-N
ID: 52091
SMILES:C1(C)CC(OC(=O)c2ccc(OC)cc2)C(=O)c2c(COc3cc(CCCCC)cc4c3OC(C)(C)C3C4C=C(C)CC3)OC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 614.779
CB1 binding score: -14.309
InChIKey:XNTOTDVWBWRCIC-UHFFFAOYSA-N
ID: 52092
SMILES:O(O)C(C)OC(C=C(C)C)C(=O)c1c(O)c2c(cc1OC)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.54
CB1 binding score: -11.928
InChIKey:VGLOWKKVGSRANO-UHFFFAOYSA-N
ID: 52093
SMILES:c12c(cc(CCCCC)cc1O)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: 52094
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)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: 52095
SMILES:C1(=O)CC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.971
InChIKey:ZBNFBEZCFKBAGI-UHFFFAOYSA-N
ID: 52096
SMILES:C1C(O)C2(C)CC3OC1(CC3C(C)(C)Oc1cc(CCCCC)cc(O)c1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -15.689
InChIKey:CVBVHGIIXZLOOL-UHFFFAOYSA-N
ID: 52097
SMILES:CC(=CCc1cc(C2C(C(C)=C)CCC(C)=C2)c(O)cc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -15.961
InChIKey:BESCIGYAZYMDCE-UHFFFAOYSA-N
ID: 52098
SMILES:COc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C(Cl)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.957
CB1 binding score: -16.207
InChIKey:ZKECKAWECIZJGV-UHFFFAOYSA-N
ID: 52099
SMILES:C(=CC1Oc2c3c(cc(CCCC)c2)OC(C)(C)C2CCC(C)(O2)C13)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.663
CB1 binding score: -16.655
InChIKey:JFQLEARVGFDPRO-UHFFFAOYSA-N
ID: 52100
SMILES:c1(O)c2c3c(cc(C)cc3OC1(C=CC(C)(O)C)O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -14.58
InChIKey:NOQFVIDQVZAZGO-UHFFFAOYSA-N
ID: 52101
SMILES:C(C1=CCC2c3c(cc(O)cc3O)OC(C)(C)C(CC1)C2)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.566
InChIKey:WPFMJTNNHGJMEK-UHFFFAOYSA-N