ID: 55378
SMILES:c1(CCCCC)c(O)c(CC=C(CCC=C(C)C#C)C)c(O)c(C(=O)O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -13.97
InChIKey:MHFZTHJKSZMRQU-UHFFFAOYSA-N
ID: 55379
SMILES:O=C(C(C)=CC)OC1C(C)(C)C2C(C)(CC1)Oc1c(c(O)cc(CCC)c1)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -13.252
InChIKey:FYFILGBNBFYESW-UHFFFAOYSA-N
ID: 55380
SMILES:CC(=O)OCC1=CC2c3c(cc(CCCCC)cc3O)OC(CCC1(C)C)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.753
InChIKey:FOQMAQOPZDGAOR-UHFFFAOYSA-N
ID: 55381
SMILES:CC(C)(CCc1cc(O)c(CC=C(C)CCC=C(C)C(OC)=O)c(O)c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -14.355
InChIKey:JWJKCQHESRVQQZ-UHFFFAOYSA-N
ID: 55382
SMILES:C1(C(C)(C)NC(=O)C)CC2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 387.564
CB1 binding score: -15.579
InChIKey:BWTFBKRXJWZWEI-UHFFFAOYSA-N
ID: 55383
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2=C(C)C2=C1C(C)CC(=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -14.788
InChIKey:YIBUPWHCERHYBX-UHFFFAOYSA-N
ID: 55384
SMILES:C(CCC=C(C)C)(C)=CCc1c(C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -15.841
InChIKey:WBRNFSWTGUJCDC-UHFFFAOYSA-N
ID: 55385
SMILES:C(CC1C(C)(C)CC(O)C=C1C)C(C)=CCc1c(O)cc(CCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -13.683
InChIKey:IJMJRKUOGYIRGN-UHFFFAOYSA-N
ID: 55386
SMILES:OC1C2(c3c(cc(CCCCC)cc3O)OC1(C)C=CC(=O)C)C(C(C)=C)CCC2(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -15.502
InChIKey:KAOMHODVUQJXPO-UHFFFAOYSA-N
ID: 55387
SMILES:C1C2(C)OC(C)(C)C(CC2)CCC(C)=CC1c1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.05
InChIKey:SZICEYCYLODKOE-UHFFFAOYSA-N
ID: 55388
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(CO)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -17.455
InChIKey:YDKZOUNVEIGJPO-UHFFFAOYSA-N
ID: 55389
SMILES:C(CCC)c1cc(O)cc2c1OC(C)(C)C1C(=O)CC(C)(O)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.383
InChIKey:JRNNMMLZJDUDRF-UHFFFAOYSA-N
ID: 55390
SMILES:CC1(C)Oc2c(c(O)cc(O)c2C(C(C)CC)=O)C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.604
InChIKey:VWTHNNZUPUPSLT-UHFFFAOYSA-N
ID: 55391
SMILES:c1(O)cc(CCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 55392
SMILES:C1CCC2(C)Oc3cc(CCCCC)cc(O)c3C3C2C1C3C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -11.726
InChIKey:OROOWIOJCAKGBH-UHFFFAOYSA-N
ID: 55393
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.63
InChIKey:JVHZDTKSUFPVNF-UHFFFAOYSA-N
ID: 55394
SMILES:C(C)(C)CC(=O)c1c(O)ccc(CCc2cc(O)c(CC=C(C)CCC=C(C)C)c(O)c2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -15.096
InChIKey:NETCGXQCIVTHCF-UHFFFAOYSA-N
ID: 55395
SMILES:C1=C(C)C(C(C)(C)CC(CC(=CCc2c(OC)c(C)cc(OC(C)=O)c2)C)O)(C)CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -15.165
InChIKey:PQQIMFDVIAQUDK-UHFFFAOYSA-N
ID: 55396
SMILES:c12ccc(O)c(C)c1OC(CO)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.015
InChIKey:QHQAHJAAKZBRDO-UHFFFAOYSA-N
ID: 55397
SMILES:C(CCCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.659
InChIKey:NSSNIAHBZNCGHJ-UHFFFAOYSA-N
ID: 55398
SMILES:CC1=CCCC2(C)Oc3c(c(O)cc(CCC)c3)C=C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -12.804
InChIKey:FIMQKEFJDSQISA-UHFFFAOYSA-N