ID: 87928
SMILES:c12c(cc(CCCCC)cc1O)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.438
InChIKey:NKPBIUKTNLMNFS-UHFFFAOYSA-N
ID: 87929
SMILES:CCCCCc1c(C(O)=O)cc(O)c2c1OC1(C)C(C(C)(C)C(=O)C=C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.29
InChIKey:ISNCZTOXOSKFAY-UHFFFAOYSA-N
ID: 87930
SMILES:C12(C)C(C)=CCCC1C(C)(Cc1c(O)c(O)cc(CCCCC)c1)C(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -12.446
InChIKey:ORYRFMNNQUTIOP-UHFFFAOYSA-N
ID: 87931
SMILES:Oc1cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 87932
SMILES:C(C=CC(C)CC(CCC)CC(c1c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c2c1cc(-c1c(O)cc(O)cc1CCCCC)o2)C)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 711.04
CB1 binding score: -15.058
InChIKey:GPPMALKMVHTNMX-UHFFFAOYSA-N
ID: 87933
SMILES:c1(CCCCCC)c(O)ccc(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.812
InChIKey:QPUSXPJSRDGTJB-UHFFFAOYSA-N
ID: 87934
SMILES:c1(OC)cc2c(cc1CCCCC)OC(C)(C)C1CCC(C(OC)=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -13.549
InChIKey:HDCAGOMNYVNYDH-UHFFFAOYSA-N
ID: 87935
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 87936
SMILES:C12(C)CCC(C(C)C)C1C1CC(C)(Oc3cc(CCCCC)cc(O)c31)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -14.521
InChIKey:WLNSIGMFPBBTRA-UHFFFAOYSA-N
ID: 87937
SMILES:c1(O)c2c(cc(OC)c1C(C)(C)C=C)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.516
InChIKey:VNPIFKKPGPOVAG-UHFFFAOYSA-N
ID: 87938
SMILES:C12C(C)(C)C(Br)CCC1(C)Oc1c(c(OC)cc(CCCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 423.435
CB1 binding score: -19.592
InChIKey:RMKAQECLYGJBNN-UHFFFAOYSA-N
ID: 87939
SMILES:c1c(CCCC)cc2c(c1O)OCC(CCC=C(C)C)=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -14.873
InChIKey:HHVRVTRUPVWRMS-UHFFFAOYSA-N
ID: 87940
SMILES:C(CCCC)CCCCCCCCc1cc(OC)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.694
CB1 binding score: -15.769
InChIKey:XGYGBMSQKZBREE-UHFFFAOYSA-N
ID: 87941
SMILES:C(C)(C)C(=O)c1c(O)c2c(cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17
InChIKey:WQYRNJBNQPTOAV-UHFFFAOYSA-N
ID: 87942
SMILES:OC(c1c(O)c2c(cc1C)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -19.064
InChIKey:BWFHYGJGKLAXKO-UHFFFAOYSA-N
ID: 87943
SMILES:c1cc(CCCCCC)cc2c1C1C(C(CO)(C)O)(CCC(C)=C1)CC2C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -16.015
InChIKey:YPKOLTLBCCGOLZ-UHFFFAOYSA-N
ID: 87944
SMILES:C1=C(C)C2(C)Oc3c(c(O)cc(CCCCC)c3)C3C24C(C(C)(C1)O4)C(O)CC=CC(=O)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.563
CB1 binding score: -15.22
InChIKey:GMBJYFHQQNWIIX-UHFFFAOYSA-N
ID: 87945
SMILES:C(O)(=O)c1cc2c(cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -18.337
InChIKey:UKFPNPQEZDKTIV-UHFFFAOYSA-N
ID: 87946
SMILES:O=C(CC(OCC1(C)C2C1c1c(cc(CCCCC)cc1O)OC2(CCCC(C)C)C)=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.611
CB1 binding score: -15.003
InChIKey:XQHYDSMQOCLMKG-UHFFFAOYSA-N
ID: 87947
SMILES:CC(C)=CCc1c(O)c(C2C(C)CCC(=C(C)C)C2)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.69
CB1 binding score: -15.93
InChIKey:YSXBEMWJUCKCKV-UHFFFAOYSA-N
ID: 87948
SMILES:c1(-c2ccc([N+](=O)O)cc2)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.437
CB1 binding score: -15.752
InChIKey:PVTJPDQEZFJGDV-UHFFFAOYSA-O