ID: 40636
SMILES:C(OC)CCCCC1c2cc3c(c(CO)c2)OC(C)(C)C2C3C1C(C)(O)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -12.477
InChIKey:BSERWBPQPLDGIW-UHFFFAOYSA-N
ID: 40637
SMILES:c1cc(C)cc2c1C(C)(C)Oc1c(c(OC)cc(CC(C)O)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -20.093
InChIKey:MLMAMJJSSGUTKI-UHFFFAOYSA-N
ID: 40638
SMILES:O(c1c2c(c(O)cc1C)C(CCC(O)C)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.364
CB1 binding score: -12.152
InChIKey:ULVXLAGFYHPDPS-UHFFFAOYSA-N
ID: 40639
SMILES:C12=C(C(C)C)C(O)CC1(C)C=C1c3c(cc(CCCCC)cc3OC2(C)C)C(O)=C(C(=O)OC)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.672
CB1 binding score: -15.058
InChIKey:ACUOQKNLOKNUJX-UHFFFAOYSA-N
ID: 40640
SMILES:C1CC2(C)Oc3c(c(OC)cc(CCCCC)c3)C3C2(COC(=O)C)C(C1)C(C)(C)CCC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -15.625
InChIKey:XJPPKZNDFYASKL-UHFFFAOYSA-N
ID: 40641
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 40642
SMILES:c1(CCCCC)cc2c(c(O)c1)C1=C(CC(O)C(C)(C)O1)C(C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.254
InChIKey:PEQQNWAJUXVPLS-UHFFFAOYSA-N
ID: 40643
SMILES:CC12C(=O)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.397
InChIKey:IVSKFZMNABHXPY-UHFFFAOYSA-N
ID: 40644
SMILES:C1(=O)C(C)CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.387
InChIKey:IGANFYFOHLCKIW-UHFFFAOYSA-N
ID: 40645
SMILES:CC1(C)Oc2c(cccc2)C2C1CCC(C)=CC(O)CC2=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -15.511
InChIKey:RTSITFJFIHSDDB-UHFFFAOYSA-N
ID: 40646
SMILES:C1C2(c3c(cc(CCCCC)cc3O)OC2(C)C)C(C(C)=C)C(C)(C=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.358
InChIKey:RJJKFRNJDPMPHR-UHFFFAOYSA-N
ID: 40647
SMILES:C(Cc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)N
Pathway: Alkaloids;Terpenoids
Superclass: Tyrosine alkaloids;Meroterpenoids
Class: Cannabinoids;Phenylethylamines
MW: 289.419
CB1 binding score: -18.298
InChIKey:PKJCKZZPAVNOCJ-UHFFFAOYSA-N
ID: 40648
SMILES:CC(C1C(c2c(O)cc(CCCCCO)cc2O)CC(C)=CC1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.083
InChIKey:TUJSWWIBRRDPKK-UHFFFAOYSA-N
ID: 40649
SMILES:c1(C(=O)O)cc2c(cc1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -19.478
InChIKey:HNVKFYQXRFNXOU-UHFFFAOYSA-N
ID: 40650
SMILES:c1(O)c2c(cc(Cc3cc(O)c(C(C)C)cc3)c1)OC(C)(C)C1C2C(O)C(C)(O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -13.74
InChIKey:WJGUHQWMNZEREL-UHFFFAOYSA-N
ID: 40651
SMILES:C(C=C(C)C)c1cc(O)cc2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 312.453
CB1 binding score: -16.393
InChIKey:GVQOUXQKUINOJB-UHFFFAOYSA-N
ID: 40652
SMILES:c12cc(CCCCC)cc(O)c1OC(CCC=C(C)C)(C)C(CCC(O)(C)CCC2)Oc1c(CCC(O)=O)cc(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 596.805
CB1 binding score: -16.502
InChIKey:CDVHCALBJJUGFM-UHFFFAOYSA-N
ID: 40653
SMILES:O=C(C)CCc1c(C)cc(O)c2c1OC(C)(C)C(O)C=CC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -13.977
InChIKey:QYPUEEAQPJLYMI-UHFFFAOYSA-N
ID: 40654
SMILES:C(CCCCC)c1cc2cc(O)c1c1c2CC2C(CCC=C(C)CCC=C(C)C)(C)C(C1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.719
CB1 binding score: -15.288
InChIKey:VEYALAUVHXYDEI-UHFFFAOYSA-N
ID: 40655
SMILES:c1(CCC(O)=O)cc2c(c(O)c1)C=CC(C)(CCC=C(C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.16
InChIKey:CVKOASOLDJIIPJ-UHFFFAOYSA-N
ID: 40656
SMILES:C1=C(C)CCCC(C)(C)Oc2cc(OC)cc(CCCCC)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -12.525
InChIKey:WRTKHGVFCXFEPJ-UHFFFAOYSA-N