ID: 54874
SMILES:C(CCCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(O)(C)C1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -19.691
InChIKey:ZLYNXDIDWUWASO-UHFFFAOYSA-N
ID: 54875
SMILES:C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 54876
SMILES:C12Cc3c(O)cc(C)cc3OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.845
InChIKey:GRMCVSGABMYXIQ-UHFFFAOYSA-N
ID: 54877
SMILES:O(c1c2c(c3c(c1)CCC(CCC=C(C)C)(C)O3)OC(C)(C)C1CC=C(C)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -13.749
InChIKey:JONFBSZVTOXYPQ-UHFFFAOYSA-N
ID: 54878
SMILES:CC1(C)Oc2cc(CCCCC)c(C(O)=O)c(O)c2C2C1(C)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -15.62
InChIKey:UTGKSJCYGLDBBD-UHFFFAOYSA-N
ID: 54879
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 54880
SMILES:C(C)CCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 54881
SMILES:c1c(CCCCC)cc2c(c1O)C1C(C(=C)C)CCC(C)(CC1=C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.535
CB1 binding score: Not available
InChIKey:AAIZSCWCJCYANF-UHFFFAOYSA-N
ID: 54882
SMILES:O1c2c(C(=O)C(C)CC)c(OC)cc(O)c2C2C=C(C)CCC2C1(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -16.173
InChIKey:XJSUIQQDSBDDNU-UHFFFAOYSA-N
ID: 54883
SMILES:O=C(OC1(C)CCC(O)C(C)(O)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.654
CB1 binding score: -16.425
InChIKey:MNCCBUDVCJGUMN-UHFFFAOYSA-N
ID: 54884
SMILES:C(CCCCCCC)c1cc(O)c2c(c1)OC(C)(C)C1OC1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.217
InChIKey:SWSMJDGXAITWLE-UHFFFAOYSA-N
ID: 54885
SMILES:CC1C(CC=C2CCOC2)(C)C2Cc3c(O)cc(C(O)=O)c(C(C(C)CC)=O)c3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.633
CB1 binding score: -14.385
InChIKey:PWAYNNPXLDBFMT-UHFFFAOYSA-N
ID: 54886
SMILES:C=CCCCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)(O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.244
InChIKey:UJDWIQMSDMEJKJ-UHFFFAOYSA-N
ID: 54887
SMILES:C1C2C(C)(C)C3C1c1c(cc(CCCCC)cc1O)OC(C)(C)C2(O)C3=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.035
InChIKey:DLBCTVSAAACXIB-UHFFFAOYSA-N
ID: 54888
SMILES:COc1c(CCCCC)cc(OC)c2c1OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.651
InChIKey:BVZNYCQVMSRHGN-UHFFFAOYSA-N
ID: 54889
SMILES:c1cc(OC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.687
InChIKey:UHTAHYZTMUZEEI-UHFFFAOYSA-N
ID: 54890
SMILES:c12c(cc(CCCCC)c(OC)c1C)OC(C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -15.507
InChIKey:HIOJNMPRLFYPEI-UHFFFAOYSA-N
ID: 54891
SMILES:C1CCC(O)(C)CCC2=C1c1c(cc(C)cc1O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.502
InChIKey:BVEQMGQZDKCJOH-UHFFFAOYSA-N
ID: 54892
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 54893
SMILES:C(Cc1c2c(c(C)cc1O)C(CC(C)C)CC1(O)C3C=CCC(OC(=O)C)=C3C(C=C(CCC=C(C)C)C)OC21)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 562.747
CB1 binding score: -17.449
InChIKey:RIIUIBHIGIAQED-UHFFFAOYSA-N
ID: 54894
SMILES:C12c3c(O)c(C(C(O)=O)C)cc(CCC(C(C)(C)O)=O)c3OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -16.371
InChIKey:ZWDMPJFXOKQXTP-UHFFFAOYSA-N