ID: 113674
SMILES:C(=C(C)C)CCC(C)=CCc1c(O)cc(CC=CC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.849
InChIKey:JAKGYBYUIRWOBF-UHFFFAOYSA-N
ID: 113675
SMILES:CC12Oc3cc(CCCCC)cc(O)c3C1OC(C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.571
InChIKey:XIEIPNMNVBWPMP-UHFFFAOYSA-N
ID: 113676
SMILES:CC(C)=CCC1C(C(C)=C)C(c2cc(CCC(=O)C)cc(O)c2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -12.63
InChIKey:BVRMFXPUZGPNJA-UHFFFAOYSA-N
ID: 113677
SMILES:Oc1cc(C2C(C(C)C)CCC(C)=C2)c(O)c(C(=O)CCC)c1CC=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -13.552
InChIKey:GEAUXDNCBROUQE-UHFFFAOYSA-N
ID: 113678
SMILES:COc1c(O)c2c(cc1CCCCC)OC(C)(C)C1C(=O)CC(C)CC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -13.493
InChIKey:AJHTXAVEVPHPFL-UHFFFAOYSA-N
ID: 113679
SMILES:C(C1(O)Oc2c(c(O)c(OC)c(CCCCC)c2)C2CC(C)=CC(=O)CC12C)C=C(C)COC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.632
CB1 binding score: -15.075
InChIKey:FPGUYDIDLUWCSV-UHFFFAOYSA-N
ID: 113680
SMILES:Oc1c(C2C(C(O)(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 113681
SMILES:c12c(c(OC)c(OC)cc1CCCCC)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.391
InChIKey:QMNMAFMFOVYQFQ-UHFFFAOYSA-N
ID: 113682
SMILES:C1(C(C)=CC(=O)C=C(C)C)CC2c3c(O)c(C(=O)O)c(CCCO)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -10.692
InChIKey:LHRWRGGFMZFATM-UHFFFAOYSA-N
ID: 113683
SMILES:C1C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C1C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.502
InChIKey:OUIDBSMKDGIDFW-UHFFFAOYSA-N
ID: 113684
SMILES:O1C(C)(C(O)CC=C(C)C)C2C(C=C(C)CC2)c2cccc(C)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -13.509
InChIKey:GUNLJBZSKGGZMI-UHFFFAOYSA-N
ID: 113685
SMILES:O=C1c2cc(CCCCC)cc(O)c2C2(CC=C(C)C)OC2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.306
InChIKey:XEWVHEWNVRTRML-UHFFFAOYSA-N
ID: 113686
SMILES:C12(C=O)C(O)CC(CO)CC1c1c(O)cc(CCCCCC)cc1OC(C)(C)C2C(=O)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.583
CB1 binding score: -16.502
InChIKey:ITCKTHBXJAFAKR-UHFFFAOYSA-N
ID: 113687
SMILES:CC(C1CCC(C)CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -21.078
InChIKey:LXIXAVCVBZBXIY-UHFFFAOYSA-N
ID: 113688
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CCC12)C(C)=CC(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -14.474
InChIKey:MZFWRYWWDCNCKS-UHFFFAOYSA-N
ID: 113689
SMILES:c1(S(=O)(=O)OC2(C(C)C)CCC(C)=CC2)c(O)cc(CCCCC)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.576
CB1 binding score: -15.843
InChIKey:LFFJSHIGKQBJBE-UHFFFAOYSA-N
ID: 113690
SMILES:Oc1c(C2OC(C(=O)O)(C)CCC2C(C)=C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -16.015
InChIKey:MUQOXKCNEZYCCE-UHFFFAOYSA-N
ID: 113691
SMILES:O=C1c2c(O)cc(CCCCC)cc2OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -19.037
InChIKey:WOUJHLUSTPDGBC-UHFFFAOYSA-N
ID: 113692
SMILES:C(C)(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -21.398
InChIKey:WPVARKYNWHKQMW-UHFFFAOYSA-N
ID: 113693
SMILES:C=C(C)C(CCc1c(O)cc(CCCCC)cc1O)C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 304.474
CB1 binding score: -16.295
InChIKey:GTPUDBSXOAFFCL-UHFFFAOYSA-N
ID: 113694
SMILES:C1(C)=CCC(C(C)C)CC1c1c(O)cc(CCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 272.432
CB1 binding score: -17.687
InChIKey:LAFDVGZQDCJMFP-UHFFFAOYSA-N