ID: 56890
SMILES:C1c2c(cc(CCCCC)cc2O)OC(C)(CCC=C(C)C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 56891
SMILES:C(CCC(=O)c1c(O)c2c(c(C(CC)C=C)c1)OC(C)(C)C1CCC(C)=CC12)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.663
CB1 binding score: -15.369
InChIKey:IFZILKCNIPLARD-UHFFFAOYSA-N
ID: 56892
SMILES:CC(C)C1CCC2(C)C(C1OC(C=Cc1ccccc1)=O)Cc1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.657
CB1 binding score: -16.485
InChIKey:MTXCGCSFNQLKTJ-UHFFFAOYSA-N
ID: 56893
SMILES:C1(O)C(OCC2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2C(O)C(C)=C3)OC(COC(CC(CC)CC)=O)C(O)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 606.753
CB1 binding score: -14.651
InChIKey:BVXDXCMXLIKFLM-UHFFFAOYSA-N
ID: 56894
SMILES:C(CCC(CCCC1(C)C(Cc2cc(O)ccc2O)=O)c2c(cc(C)cc2)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -14.249
InChIKey:UFGLRBZXNYBCRC-UHFFFAOYSA-N
ID: 56895
SMILES:C(CCC(C)=CCc1c(O)cc(CCC)cc1O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 56896
SMILES:C1C2C(C(C1)C(=O)O)C(O)(Cc1c(O)c(C(O)=O)c(CCCCC)cc1O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.501
CB1 binding score: -16.728
InChIKey:KEZBZEXXXMDNSS-UHFFFAOYSA-N
ID: 56897
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(OC)(C)CC1)(C(C)(O)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.535
CB1 binding score: -12.988
InChIKey:HLMXCZHPVXRVAM-UHFFFAOYSA-N
ID: 56898
SMILES:CC1(C)OC(=O)CC1C(=CC(=O)CC(=CCc1c(OC)c(C)cc(O)c1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -17.892
InChIKey:AXXCTBRAUPKHTC-UHFFFAOYSA-N
ID: 56899
SMILES:CC(=CCc1c(CCCCC)cc(O)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.891
InChIKey:JFJAMLJGMDJCRJ-UHFFFAOYSA-N
ID: 56900
SMILES:c1(OC)c(OC)c(OC)cc(C(C2=C(O)C3(CC(C(=C)C)CCC3C)CC2(C)C)CC(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.694
CB1 binding score: -15.969
InChIKey:IIMAGMFBKIJVDX-UHFFFAOYSA-N
ID: 56901
SMILES:C1(C)(CCC=C(C)C)Oc2c(O)cc(CCCC)cc2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.879
InChIKey:WNSSGUWRFMVTAI-UHFFFAOYSA-N
ID: 56902
SMILES:C(C)(=CCCC(=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 56903
SMILES:c1c(C23CCC(C)(C)OC2C(C)(O)CO3)c(O)ccc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.045
InChIKey:ULAWBTDWDNBKEB-UHFFFAOYSA-N
ID: 56904
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)CCC=C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.59
CB1 binding score: -17.334
InChIKey:UONJLQMKZKHMEB-UHFFFAOYSA-N
ID: 56905
SMILES:c1(O)c(O)c(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.286
InChIKey:NHNAENUOFBTILX-UHFFFAOYSA-N
ID: 56906
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(C)c3)C2CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.804
InChIKey:NJEVKSYKELTXNY-UHFFFAOYSA-N
ID: 56907
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 56908
SMILES:Oc1c2c(c(COC(C(C)C)=O)c(CC(O)C)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -16.54
InChIKey:SNFSAZRFIFUVQQ-UHFFFAOYSA-N
ID: 56909
SMILES:C1C(C)(c2c(O)cc(CCCCC)cc2)OC(C(C)(O)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.446
CB1 binding score: -17.432
InChIKey:WGAPAKIIXJNVNE-UHFFFAOYSA-N
ID: 56910
SMILES:C(CCCC)c1cc(O)c(CC=C(CCC(C(C)C)=O)C)c(O)c1C(=O)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 376.493
CB1 binding score: -16.478
InChIKey:VMJUSBRMZQHIKB-UHFFFAOYSA-N