ID: 73123
SMILES:C1=C(C)CC(=O)C2C(C)(C)Oc3c(c(O)cc(C)c3)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -16.015
InChIKey:JZQHYEHJTMDWPZ-UHFFFAOYSA-N
ID: 73124
SMILES:c1(C(=O)C=CCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.471
InChIKey:ABKKLYJPPFNFAS-UHFFFAOYSA-N
ID: 73125
SMILES:c1(CCC(=O)C)cc(O)c(C2C(C(C)=C)CCC(O)(C)C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.358
InChIKey:BOJFOTWQUVHXMP-UHFFFAOYSA-N
ID: 73126
SMILES:C1C=C(C)CC(c2c(O)cc(CCCC)c(Cl)c2)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.904
CB1 binding score: -14.411
InChIKey:LBJYAPYPEWTMCK-UHFFFAOYSA-N
ID: 73127
SMILES:C1CC23C(CC1C)C(C)CCC2C(C)(C)Oc1cc(CCCCC)cc(O)c13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.029
InChIKey:YIHLWWDPBCOMJO-UHFFFAOYSA-N
ID: 73128
SMILES:CC1(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 220.312
CB1 binding score: -17.272
InChIKey:BUZRGRBWWXVNTD-UHFFFAOYSA-N
ID: 73129
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C(C)C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.491
InChIKey:MENBFTCDHIEHSW-UHFFFAOYSA-N
ID: 73130
SMILES:Oc1c(C(=O)C(C)C)c2c3c(c1C)C1C(C(C)(C)O2)CC2C(C)(CC1C=C(C)C2)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -16.796
InChIKey:YDKPLVPOEKRCBX-UHFFFAOYSA-N
ID: 73131
SMILES:C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 73132
SMILES:C1CC(O)(C)CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 73133
SMILES:O1C(C)C(O)C(O)C(O)C1OCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(COC(=O)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.538
CB1 binding score: -15.955
InChIKey:HGJMRQJKNLJSIP-UHFFFAOYSA-N
ID: 73134
SMILES:C(Nc1ccc(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 311.469
CB1 binding score: -14.19
InChIKey:IOEAXYRKRDETKX-UHFFFAOYSA-N
ID: 73135
SMILES:C1C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.268
InChIKey:NJBNLYZYVTUEAN-UHFFFAOYSA-N
ID: 73136
SMILES:O=C(Oc1c2c(cc(CCCC[N+](C)(C)C)c1)OC1(C2)C2C(C(C)(C)O1)CCC(C)=C2)C(C)=CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.685
CB1 binding score: -11.754
InChIKey:MANGXWZQGRJPNV-UHFFFAOYSA-N
ID: 73137
SMILES:C(CCC)Cc1c-c2c(c(O)c1)C1C(CC3C(CO)(C)CCCC31C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: Not available
InChIKey:NNFKEFRIYQVXMY-UHFFFAOYSA-N
ID: 73138
SMILES:CC(C1C=CC(C)CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.425
InChIKey:GMQLCXLOQQURAK-UHFFFAOYSA-N
ID: 73139
SMILES:C1(C=CC(C(OC)(C)C)O)(C)Oc2c(c(O)cc(CCCCC)c2)C=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -13.913
InChIKey:AVNXYISYWCOPTK-UHFFFAOYSA-N
ID: 73140
SMILES:C(Cc1cc(O)c(C2C(C(=C)C)CC=C(C)C2)cc1O)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.334
InChIKey:SUHOGUGDMOQZOW-UHFFFAOYSA-N
ID: 73141
SMILES:C(C)CCCc1cc(OC2CC(C)=CCC2(C)C)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.46
InChIKey:AGOOAVIEHNXGAG-UHFFFAOYSA-N
ID: 73142
SMILES:O=C(OCC1(C)CC(C)(C=C2c3c(O)cc(CCCCC)cc3OC2C=C(C)C)C(C(O)(C)C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.731
CB1 binding score: -15.378
InChIKey:FUFRDXCCDLAXIR-UHFFFAOYSA-N
ID: 73143
SMILES:c12c(c(O)c(OC3C(O)C(O)C(O)C(CO)O3)cc1C)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.501
CB1 binding score: -16.502
InChIKey:MSSUSIOZDUKOLF-UHFFFAOYSA-N