ID: 56743
SMILES:COc1c(OC)c2c(c(CCCCC)c1)OC1(C)C(C3(CCC=C(C)C(C)C(O)C(=O)C3)C(C(C)=C)C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.742
CB1 binding score: -16.734
InChIKey:GYBZIIQTNHKUSR-UHFFFAOYSA-N
ID: 56744
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 56745
SMILES:C1C(C(O)=O)=CC2C3(O)C(C4(Oc5c(c(O)cc(CCCCC)c5)C4C=C(C)CO)CC3C(C)=C)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.627
CB1 binding score: -12.432
InChIKey:RJIJJBSOFRJREQ-UHFFFAOYSA-N
ID: 56746
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 56747
SMILES:C12C(C)(CCC=C(C)C)Oc3c(c(O)cc(CCCCC)c3)C1C=C(C(OC)=O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.287
InChIKey:RHRQUSSBYQLNMX-UHFFFAOYSA-N
ID: 56748
SMILES:O1c2cc(CCCCC)cc(OC)c2C2C(CC=C1C)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.672
InChIKey:AWFSJRFTLRDMFR-UHFFFAOYSA-N
ID: 56749
SMILES:C1CC(C)CC2(O)c3c(O)cc(CCCCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.007
InChIKey:FXSXHYVMKQBBKA-UHFFFAOYSA-N
ID: 56750
SMILES:C(CC(OC1C(C)=CCC2C(Cc3cc(O)ccc3O)(OC2(C)C)C1C)=O)CCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -15.411
InChIKey:LPKOIEUYYBAMQQ-UHFFFAOYSA-N
ID: 56751
SMILES:CC12Oc3c(cc(CCCCC)c(OC(=O)C)c3O)CC1C(C)(C)CC(OC(=O)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -13.39
InChIKey:RTYHMCSIIKQBDL-UHFFFAOYSA-N
ID: 56752
SMILES:C1C2(c3c(cc(CCCCC)cc3O)OC2)C2=CC3C(=C)C(=O)OC3CC2(C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.522
CB1 binding score: -14.944
InChIKey:VVLLLXGZFLXWAJ-UHFFFAOYSA-N
ID: 56753
SMILES:c1(O)c2c(ccc1OC)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -16.398
InChIKey:MONCZNLJLYDCLW-UHFFFAOYSA-N
ID: 56754
SMILES:C1=Cc2c(O)c(C(=O)C)c(CCCCC)cc2OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.876
InChIKey:NPDVSEWCVDXLOB-UHFFFAOYSA-N
ID: 56755
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 56756
SMILES:c1c(COCCCC)ccc2c1OC(CC=C(CO)C)(C)C=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.234
InChIKey:IXZMXNBTWROLOH-UHFFFAOYSA-N
ID: 56757
SMILES:Oc1c2c(cc(CCCCC)c1O)OC1(C)CC=C(C(CCC=C(C)C)C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Prenyl quinone meroterpenoids
MW: 398.587
CB1 binding score: -14.846
InChIKey:JAAZJAGSSFFZOM-UHFFFAOYSA-N
ID: 56758
SMILES:C(C=C(C)C)c1cc(O)cc(CCCCC)c1O
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 248.366
CB1 binding score: -17.913
InChIKey:OZBDRWFBMCCJHI-UHFFFAOYSA-N
ID: 56759
SMILES:C1(=C(C)C)CC=C(C)CC1c1c(O)cc(CCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -11.078
InChIKey:GKXJRGZYGZORJE-UHFFFAOYSA-N
ID: 56760
SMILES:c1(OC)c2c(c(OC)c(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.255
InChIKey:AYPAODWGQGGEIQ-UHFFFAOYSA-N
ID: 56761
SMILES:C=C(C12OC34OC(C)(CC3)OC14C(C)(C)Oc1c(c(O)cc(CCC)c1)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -11.548
InChIKey:RFQSVHCNLWYRCF-UHFFFAOYSA-N
ID: 56762
SMILES:C1C2C(CC=C(C3CO3)C2)C(C)(C)Oc2cc(C)cc(O)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.961
InChIKey:SWUVYPJCQNCSFN-UHFFFAOYSA-N
ID: 56763
SMILES:C1C=C(C)Cc2c(O)c(C=O)c(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.749
InChIKey:UPNBSTAJTIDRAS-UHFFFAOYSA-N