ID: 57625
SMILES:C(C)CCOCc1c(O)c2c(cc1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -13.36
InChIKey:AZTQSANYZMGUDS-UHFFFAOYSA-N
ID: 57626
SMILES:O1C2(Cc3c(O)cc(CCCCC)cc31)C(C)CC(O)C1C2(C)CC(O)CC1(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.721
CB1 binding score: -17.53
InChIKey:NRXGEZDDNZURAZ-UHFFFAOYSA-N
ID: 57627
SMILES:C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 57628
SMILES:C1=C(C)C2C(C)(C)C(C1)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.625
InChIKey:MHMDYUXXSLAGEI-UHFFFAOYSA-N
ID: 57629
SMILES:C(C(C(=O)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1)C)=CC(C)=CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.636
CB1 binding score: -16.212
InChIKey:HLCLTOJYJSIZEV-UHFFFAOYSA-N
ID: 57630
SMILES:C1=Cc2c(cc(CCCC)cc2O)OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.323
CB1 binding score: -18.332
InChIKey:BLTMDVBCVIKEGR-UHFFFAOYSA-N
ID: 57631
SMILES:O=C(C=C(CC)C)c1c(O)c(C(=O)CCC)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.536
CB1 binding score: -15.069
InChIKey:DANDHISDGWAZAU-UHFFFAOYSA-N
ID: 57632
SMILES:C=C(C1CCC(C)=CC1c1c(O)cc(C(O)CCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.055
InChIKey:OEWBQBNIVUMUKU-UHFFFAOYSA-N
ID: 57633
SMILES:CCCCCCc1cc(O)c(CC=C(CCC=C(C)C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 314.513
CB1 binding score: -17.334
InChIKey:LEDFMVBKTGJRMR-UHFFFAOYSA-N
ID: 57634
SMILES:C(C)(C1C(c2c(O)cc(CCCC)cc2O)C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N
ID: 57635
SMILES:CC1(C)C2CCC(C(O)=O)=CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.531
InChIKey:MNPOCGUOPCCMCZ-UHFFFAOYSA-N
ID: 57636
SMILES:C1CC(C)=C(CCC(C)=CCc2c(O)c(C(=O)O)c(CCCCC)cc2O)OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -12.007
InChIKey:FPQBEBOYACJJNU-UHFFFAOYSA-N
ID: 57637
SMILES:O(c1c(CC=C(C)C)c(O)cc2c1C(=O)C(O)C(c1c(O)ccc(CCCCC)c1)C2(O)CC(=C)C)CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 630.866
CB1 binding score: -13.078
InChIKey:PNUNJWLYASZBKI-UHFFFAOYSA-N
ID: 57638
SMILES:C(C=C(CCC=C(C(=O)O)CCC=C(C)C)C)c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C(O)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Merosesquiterpenoids
MW: 508.655
CB1 binding score: -13.613
InChIKey:PAFDPRGPSHXFSA-UHFFFAOYSA-N
ID: 57639
SMILES:OCC(=CCOc1cc(CCCCC)cc2c1OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.633
InChIKey:AKVRTFZZKUKWJE-UHFFFAOYSA-N
ID: 57640
SMILES:CC1(C)C(Br)=C(C2CCC(C(C)CCCC(C)C)C2c2c(O)cc(CCC)cc2O)CC(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 535.563
CB1 binding score: -14.006
InChIKey:GNWQEGBVERTMMP-UHFFFAOYSA-N
ID: 57641
SMILES:c1(OC)cc2c(cc1CCCCC)OC(C)(C)c1c-2cc(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -17.073
InChIKey:TZVKTOSREOVKKC-UHFFFAOYSA-N
ID: 57642
SMILES:CC1(C)C23OC(C)(C)C1CCC2(CBr)Oc1cc(CCC(CC)O)cc(c1O)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 467.444
CB1 binding score: -14.889
InChIKey:RTTHKKBAMQPZFQ-UHFFFAOYSA-N
ID: 57643
SMILES:C1C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 57644
SMILES:c1(CCCC)cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -19.932
InChIKey:YRIJETKCLFDWJX-UHFFFAOYSA-N
ID: 57645
SMILES:C1=C(C)CC2C(C(C)(C)Oc3cc(CCC)cc(O)c32)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -18.829
InChIKey:GJVDMWNRWCDVLK-UHFFFAOYSA-N