ID: 41308
SMILES:c1c2c(cc(C(OC)=O)c1)-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -16.583
InChIKey:MRKQYESHYJFAHW-UHFFFAOYSA-N
ID: 41309
SMILES:CC(=CCCC(CCc1c(O)cc(CCC)cc1O)C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.566
CB1 binding score: -14.453
InChIKey:NUUDZMQHRFJSKK-UHFFFAOYSA-N
ID: 41310
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(CCC=C(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: 41311
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3OC(C)=O)CC2C(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.502
InChIKey:QCTRBVZUSDUQDU-UHFFFAOYSA-N
ID: 41312
SMILES:c1(O)cc(CC=C(C)C)c(OC)cc1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.344
InChIKey:CKQSMVWAOLMBJX-UHFFFAOYSA-N
ID: 41313
SMILES:O1c2cc(CCCCC)cc(OC)c2C(=O)C1C(=C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.744
InChIKey:BUNMVBWAYGOSCH-UHFFFAOYSA-N
ID: 41314
SMILES:C(=C)c1cc2c(c(O)c1)C1C(CC2)C(C)(C)Oc2cc3c(cc21)OC1(C)C2C(C1)C(C)(C)C23
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.599
CB1 binding score: -15.697
InChIKey:KJPLDVOICBMSBB-UHFFFAOYSA-N
ID: 41315
SMILES:C(C)CCCc1cc(OC)c2c(c1)OC(C)(C)c1ccc(C=O)c(C(=O)O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.456
CB1 binding score: -15.372
InChIKey:YIBVKDDELOEOEY-UHFFFAOYSA-N
ID: 41316
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 41317
SMILES:Oc1c(C(O)=O)c(CCC)cc2c1C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -15.943
InChIKey:PSTIWXDDVJHQSN-UHFFFAOYSA-N
ID: 41318
SMILES:C(CCC)Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 41319
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 41320
SMILES:C1(CC=C(C)C)C(C)c2cc(O)c(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -16.386
InChIKey:SYUTZKAATLJNGT-UHFFFAOYSA-N
ID: 41321
SMILES:C(C1C(=C(CCC=C(C)C)C)CCC(C)=C1)(C)Cc1c(O)c(C)cc(OC(C)=O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -16.502
InChIKey:UDPHQMNOOICDDT-UHFFFAOYSA-N
ID: 41322
SMILES:c1c(CC=C)cc2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 268.4
CB1 binding score: -17.053
InChIKey:FUJBOERHOKAQFS-UHFFFAOYSA-N
ID: 41323
SMILES:C(C)(=CCCC(=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 41324
SMILES:c1c2c(cc(CCCCC)c1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.497
InChIKey:MPSLHJUTUUBRHL-UHFFFAOYSA-N
ID: 41325
SMILES:C(C)(C)C1=CC2c3c(cc(C)cc3O)OC(C)(C(OC3OC(C)C(OC)C(O)C3O)C2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.556
CB1 binding score: -15.811
InChIKey:ISMPBOHPKWMIJL-UHFFFAOYSA-N
ID: 41326
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.486
CB1 binding score: -19.258
InChIKey:DYHMKBLKWFFFSZ-UHFFFAOYSA-N
ID: 41327
SMILES:CC1(C)C(c2c(O)cc(CCCCCCC)cc2)CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.54
CB1 binding score: -11.437
InChIKey:LFEWBACPPPPTNC-UHFFFAOYSA-N
ID: 41328
SMILES:O=C(C=C(C)C)Oc1cc(CCCCC)cc(O)c1C1CC(C)=CCC1C(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.325
InChIKey:VSAFIVSJXOYSTN-UHFFFAOYSA-N