ID: 104350
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 104351
SMILES:C1CC(C(C)C)=CC(c2c(O)cc(CCC)cc2O)C1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.691
InChIKey:QGQUGTBLSNJBFP-UHFFFAOYSA-N
ID: 104352
SMILES:C1c2cc(CCCCC)cc(O)c2C2C(C)(C)CCCC2(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -14.918
InChIKey:OHZWBLDZNIHXTG-UHFFFAOYSA-N
ID: 104353
SMILES:O=C1CC2(C)Oc3cc(CCCCC)cc(O)c3C2C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.987
InChIKey:BEKVEZRUERPAHS-UHFFFAOYSA-N
ID: 104354
SMILES:CC1(C)C2C(C)(Oc3cc(OC)cc(CCCCC)c3C(=O)C2)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.204
InChIKey:ZNIAVOMCQSUGGH-UHFFFAOYSA-N
ID: 104355
SMILES:C1C2C(C=C(C)C1=O)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 104356
SMILES:O=C(C=C(C)C)c1c(C2C=C(C)CCC2C(=C)C)c(O)c(C(=O)CC(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -16.202
InChIKey:FYANELDNBIDPGZ-UHFFFAOYSA-N
ID: 104357
SMILES:C1(=O)C2(CC=C(C)C)c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 412.614
CB1 binding score: -15.488
InChIKey:PUYPSURUTLQRLD-UHFFFAOYSA-N
ID: 104358
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(CC(=O)CC(C)C)O1)CC2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -13.123
InChIKey:OCCDZNSYMSYLER-UHFFFAOYSA-N
ID: 104359
SMILES:C12C=C(C(=O)O)CCC1C(C)(C)Oc1c2c(O)c(O)c(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -16.344
InChIKey:AQMZGIXUAJPXDB-UHFFFAOYSA-N
ID: 104360
SMILES:c1(CCCCC)cc2c(c(O)c1)C1(C(=O)O2)C(C)(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.422
InChIKey:ZPEJEFSGRIAELT-UHFFFAOYSA-N
ID: 104361
SMILES:CC1(C)C2Cc3c(cc4c(c3OC)OC(C)(C)O4)C(CC=C(C)C)C(C)=C1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -15.162
InChIKey:BPBQFGYLOQGXOR-UHFFFAOYSA-N
ID: 104362
SMILES:CC1=CC2c3c(cc(CCCCCC)cc3OC2)OC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -14.177
InChIKey:WZCKUNKSZKHKNB-UHFFFAOYSA-N
ID: 104363
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 104364
SMILES:C1=CC2c3c(O)cc(C(CCC)(O)C)cc3OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.196
InChIKey:TXRJHAJLJYLHRF-UHFFFAOYSA-N
ID: 104365
SMILES:C1C(C)COc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.339
CB1 binding score: -18.588
InChIKey:NGWFDQUUPDZYQO-UHFFFAOYSA-N
ID: 104366
SMILES:C1C=C(C)CC2c3c(OC)cc(CCCCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.823
InChIKey:GRLARWXSTOXAGR-UHFFFAOYSA-N
ID: 104367
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(COC(=O)CC(O)CC)(O)C3(C1O3)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.593
CB1 binding score: -14.429
InChIKey:QFWTZZGLMKOUOK-UHFFFAOYSA-N
ID: 104368
SMILES:C1CC(C(C)C)=CC2C1(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.292
InChIKey:HDZMXMXUMOWVTE-UHFFFAOYSA-N
ID: 104369
SMILES:c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.225
InChIKey:BEXSRXTVRHPHGL-UHFFFAOYSA-N
ID: 104370
SMILES:O(C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.868
InChIKey:GUCQHWYDQYTKNE-UHFFFAOYSA-N