ID: 140050
SMILES:c1c(C2C=C(C)CCC2C(C)C)c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -17.403
InChIKey:CPVCFJQAAQSIRB-UHFFFAOYSA-N
ID: 140051
SMILES:O=[N+](O)c1cc(C(=O)O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.349
CB1 binding score: -12.159
InChIKey:ZFAHNSUVAMDDFT-UHFFFAOYSA-O
ID: 140052
SMILES:c1(C)cc2c(c(C)c1C1C=C(CO)CCC1C(C)=C)CO2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -11.204
InChIKey:XOUYULKZAAOZSA-UHFFFAOYSA-N
ID: 140053
SMILES:C1(CC)=CC(c2c(O)cc(C)cc2O)C(C(C)(O)C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.326
InChIKey:KXGSXYLNCVECID-UHFFFAOYSA-N
ID: 140054
SMILES:C12CC3(C)C(C)(C)C1(C2)Oc1c3c(O)cc(CC=C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -14.533
InChIKey:WNQDLQKRSCZXTR-UHFFFAOYSA-N
ID: 140055
SMILES:C(Cc1c(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c(C(NCCCC)=O)c1O)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 431.617
CB1 binding score: -14.961
InChIKey:FUFCCBORBRHZIM-UHFFFAOYSA-N
ID: 140056
SMILES:C(CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 140057
SMILES:C1(O)C(C)(C)C2Cc3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 360.538
CB1 binding score: -12.725
InChIKey:GBXXPEBYIAGKTJ-UHFFFAOYSA-N
ID: 140058
SMILES:CC(=CCc1c(OC)cc(CCCCC)cc1O)CC(C=C(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -18.585
InChIKey:WIXPCHIMOONVHR-UHFFFAOYSA-N
ID: 140059
SMILES:C1C=C(C)C(O)C2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.186
InChIKey:KQQMZTULVOWZJR-UHFFFAOYSA-N
ID: 140060
SMILES:c1(O)c(CC=C(CCC=C(CCC=C(C)C)C)C)c(O)cc(CCCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 398.631
CB1 binding score: -18.393
InChIKey:PHVGPKALUWIASL-UHFFFAOYSA-N
ID: 140061
SMILES:C(CCC(C)=CCCC1(C)Oc2c(cc(OC(C)=O)cc2C)C=C1)(C(C)(O)C)OO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -16.725
InChIKey:UWAHUIFRWWBRNO-UHFFFAOYSA-N
ID: 140062
SMILES:C(=C)c1cc(O)c2c(c1)OC(C)(C)C1CCC3(C(C)=CC(O)CC3C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -15.193
InChIKey:LTEKYCCIWDACCR-UHFFFAOYSA-N
ID: 140063
SMILES:c12c(cc(O)c(C(C)C)c1C=O)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -13.675
InChIKey:VWPBNWDKECGCLA-UHFFFAOYSA-N
ID: 140064
SMILES:C(=CC(CC(C)=CCc1c(O)c(C)cc(OC(C)=O)c1)(O)C)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.859
InChIKey:MOOUOPTTXUZHMJ-UHFFFAOYSA-N
ID: 140065
SMILES:C(CC1(C)C=Cc2c(O)cc(CCC)cc2O1)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N
ID: 140066
SMILES:C12(Oc3c1c(O)cc(CCCCC)c3)C(C)COC(=O)CC2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.199
InChIKey:OZXGIVCQRALCRY-UHFFFAOYSA-N
ID: 140067
SMILES:COc1c2c(cc(CCC(=O)OCC)c1)OC(C)(C)C=CC1C(CC=C1C)C(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -15.609
InChIKey:DSGHJLHYPAFKRW-UHFFFAOYSA-N
ID: 140068
SMILES:CC1(C)C2=C(c3c(cc(CCCCC)cc3O)C(=O)C(CC=C(C)C)=C2O)CC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -14.651
InChIKey:NNRVRTVMUBHNJH-UHFFFAOYSA-N
ID: 140069
SMILES:C12C3C(C)(C)C3CCC1(C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.513
InChIKey:AZIKMVNCPVVUFJ-UHFFFAOYSA-N
ID: 140070
SMILES:CC1=CCC2C(C)(C)Oc3cc(CCCN)cc(c32)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 285.387
CB1 binding score: -16.279
InChIKey:KPGSULXNNSAJLN-UHFFFAOYSA-N