ID: 92653
SMILES:C12(C(=C)C)C(OC)Oc3c(cc(CCCCC)cc3O)OC1(C)C=CC1=C2COC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.509
CB1 binding score: -15.381
InChIKey:AEGVKKSPRBCABQ-UHFFFAOYSA-N
ID: 92654
SMILES:C12C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C2CC3(C(C)(O)CC(C=C(C)C)O3)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -15.732
InChIKey:QGQRPXFWCBUGLY-UHFFFAOYSA-N
ID: 92655
SMILES:C12=C(c3c(cc(CCCCC)c(C(=O)O)c3O)OC1(C)C)CC(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.015
InChIKey:QTYNFLQRTQFUDT-UHFFFAOYSA-N
ID: 92656
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 92657
SMILES:c1(CCCCC)cc2c(c(O)c1C=O)CC1C(C)(O2)CCC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: Not available
InChIKey:SPMYCUYGESLBFA-UHFFFAOYSA-N
ID: 92658
SMILES:Oc1cc2c(c(C(=O)CCCCC)c1)CC1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.413
InChIKey:YQLRHCKXTYINKI-UHFFFAOYSA-N
ID: 92659
SMILES:C12C3c4c(cc(CCCCC)cc4O)OC(C)(C)C3CC1C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -19.56
InChIKey:PXTRBCPIPKTDFJ-UHFFFAOYSA-N
ID: 92660
SMILES:CC(=CCCC(C)=CCc1c(O)cc(CCc2ccccc2)c(O)c1)CCC=C(CO)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -15.929
InChIKey:QZTOWDVODBWHSS-UHFFFAOYSA-N
ID: 92661
SMILES:C=C(C1CCC(C)C(=O)C1c1c(O)cc(C)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.62
InChIKey:OVBVUTBNSCJXHB-UHFFFAOYSA-N
ID: 92662
SMILES:OC(CC(c1cc2c(c(O)c1)C1C(CC=C(C)C)(CC(C(C)C)C=C1)C(C)(C)O2)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -11.639
InChIKey:GBVAGOFSITYVTR-UHFFFAOYSA-N
ID: 92663
SMILES:CC12C(CC(C(C)=C)CC1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.721
InChIKey:XCPAWDCVXUOIGQ-UHFFFAOYSA-N
ID: 92664
SMILES:O1c2c(c(O)cc(C(C)C(CCCCC)C)c2)C2(C(C(C)=C)=C)C(=O)C(C)(CC1)C(=O)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -15.534
InChIKey:NGLUYYHWLCGANS-UHFFFAOYSA-N
ID: 92665
SMILES:C1Cc2c(OC)cc(CCCCC)cc2OC1(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.454
InChIKey:VZFRXICVQKCJBK-UHFFFAOYSA-N
ID: 92666
SMILES:c1(C=Cc2c(I)cc(CC=C(CCC=C(C)CCC=C(C)COC(=O)C)C)cc2O)ccc2c(c1)OC(C)(C)C1CCC(CO)C=C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 750.758
CB1 binding score: -16.017
InChIKey:CUTADLRDSRKWTD-UHFFFAOYSA-N
ID: 92667
SMILES:OCC(=CCCC(=CCc1c(O)cc(CCCC)c(O)c1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 334.456
CB1 binding score: -16.606
InChIKey:VNMDZAAQIWWMPF-UHFFFAOYSA-N
ID: 92668
SMILES:C(CC1C(C)(C)Oc2c1c(O)cc(C)c2)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -16.581
InChIKey:SROIMCOFFSJHQK-UHFFFAOYSA-N
ID: 92669
SMILES:C1(O)(C)C=CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C1C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.838
InChIKey:YIFCXXVMOQZOEB-UHFFFAOYSA-N
ID: 92670
SMILES:C(CCCC)c1cc(OC)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.823
InChIKey:GRLARWXSTOXAGR-UHFFFAOYSA-N
ID: 92671
SMILES:c1(CCCCCC)cc2c(c(O)c1)CC1CC(C)(C)C=CC1(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -13.472
InChIKey:VOQUYKWIMPSNOF-UHFFFAOYSA-N
ID: 92672
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3OC(=O)C(=CC4C=C(C)CCC4C(C)=C)C3C2C(C(C)(O)C)C1OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 620.827
CB1 binding score: -16.517
InChIKey:QWVJZMRUZZJXKP-UHFFFAOYSA-N
ID: 92673
SMILES:CC(CC(CC(C)=CCOc1cc(O)c(C(=O)C(CC)C)c2c1OC(C)(C)C1C2CC(C)=CC1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.732
CB1 binding score: -16.17
InChIKey:QCJQUDCQLOTBIY-UHFFFAOYSA-N