ID: 75559
SMILES:C(C)(C)CC(=O)OCC1C(CO)C2(O)CC(c3c(O)c(C(OC)=O)c(CCCCC)cc3O)OC2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.608
CB1 binding score: -14.013
InChIKey:UTBATRVHBMQVKE-UHFFFAOYSA-N
ID: 75560
SMILES:CC(CCCCC)c1cc2c(c(S(=O)(=O)O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.588
CB1 binding score: -14.969
InChIKey:OPWYYDYYHZJELO-UHFFFAOYSA-N
ID: 75561
SMILES:CC(=CCCC(C)=CCC1C(C(C)=C)CC(=C)C1c1ccc(C)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.573
CB1 binding score: -16.716
InChIKey:BFWSEGJNQDANNK-UHFFFAOYSA-N
ID: 75562
SMILES:C(CC1OC1(C)C)(C)=CCCC1(C)Oc2cc(CCCCC)c(C(=O)O)cc2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -13.722
InChIKey:KDGSHGSZSLPNPN-UHFFFAOYSA-N
ID: 75563
SMILES:CCCCCCc1cc2c(c(O)c1)C1C(C(C)(O)C)CCC(C)C1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -16.29
InChIKey:KVEYDBSPFGXJAZ-UHFFFAOYSA-N
ID: 75564
SMILES:c12c(cc(C)cc1)-c1c(O)cc(CCCCC)cc1OC21CC=C(C)CO1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -15.131
InChIKey:KQXMLSICULOGCX-UHFFFAOYSA-N
ID: 75565
SMILES:C1C(C(C)(C)O)C(c2c(O)cc(CCCCC)cc2)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.257
InChIKey:KETCUGMUWAEENN-UHFFFAOYSA-N
ID: 75566
SMILES:C(CCC(CCC=C(C)C)C)C(=CCc1cc(O)cc(C)c1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.162
InChIKey:GVVUQQWWMGBFAL-UHFFFAOYSA-N
ID: 75567
SMILES:Oc1cc(CC(O)C(C)=C)cc2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.014
InChIKey:OSPXRDZVNPWUQI-UHFFFAOYSA-N
ID: 75568
SMILES:C1C(C=C)(C)C(c2c(O)cc(CCCCC)cc2O)CC(C(O)(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: Not available
InChIKey:IJHXSZPTKVNEEN-UHFFFAOYSA-N
ID: 75569
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C1(C)CCC1(C)C2C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -15.91
InChIKey:TYRNGUQDDXEYPL-UHFFFAOYSA-N
ID: 75570
SMILES:CC(=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 75571
SMILES:C12C=C(C)CCC1C(C)(C)Oc1c2ccc(O)c1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -18.344
InChIKey:QWDRQWJIEFPPBL-UHFFFAOYSA-N
ID: 75572
SMILES:C1c2c(c3c(oc(C)n3)cc2)OC(C)(C)C2CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 297.398
CB1 binding score: -11.318
InChIKey:IZQZVYGAHHLTKY-UHFFFAOYSA-N
ID: 75573
SMILES:Oc1c(C(CC2(C)OC(C)(C)CCC2)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.527
CB1 binding score: -16.092
InChIKey:ZWMQWPNMGGODGP-UHFFFAOYSA-N
ID: 75574
SMILES:c12c(c(O)c(CC=C(C)CCC=C(C)C(O)=O)cc1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -16.439
InChIKey:WPVVSSXTGXPCJX-UHFFFAOYSA-N
ID: 75575
SMILES:CC1(C)Oc2cc(O)c(C(O)=O)c(CCCCC)c2C2C1CCC1(C)C(CCC3(C)OC3C3C1=C(C)C(=O)O3)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 554.68
CB1 binding score: -16.507
InChIKey:CPMQANKQUYAQLF-UHFFFAOYSA-N
ID: 75576
SMILES:Oc1cc(CCCCC)cc2c1C1OC(C=C)(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.527
InChIKey:WLDYXZUAKDGWLY-UHFFFAOYSA-N
ID: 75577
SMILES:C12C(C)(C)Oc3c(c(O)cc(C)c3)C1C(CC(=O)C(O)(C)C)C(C)(O)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -14.658
InChIKey:NXUCTYMMYSDRLD-UHFFFAOYSA-N
ID: 75578
SMILES:C(c1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2)(CCCC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.507
InChIKey:FRXMUHLUDMDJDH-UHFFFAOYSA-N
ID: 75579
SMILES:c12c(c(CCC)ccc1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.001
InChIKey:RIJPOBWSGHDJJK-UHFFFAOYSA-N