ID: 55042
SMILES:O1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C3CCC(C)C2C3C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -13.39
InChIKey:JSEBJENCRYPGGR-UHFFFAOYSA-N
ID: 55043
SMILES:Cc1c2c(cc(C)c1-c1c(O)cc(CCCCC)cc1O)OC(C)(CCC=C(C)C)C(C=C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.728
CB1 binding score: -15.717
InChIKey:ZPEIKNGTBTWPKT-UHFFFAOYSA-N
ID: 55044
SMILES:CC12C(Cc3c4c5c(cc3C)OC(C)(C)C3CCC(C)C3C5C=C4C(C)C)C(C)CC1O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.664
CB1 binding score: -12.209
InChIKey:OABPIMARGUYMDC-UHFFFAOYSA-N
ID: 55045
SMILES:C(C(C1c2c(O)cc(CCCCC)cc2OC1(C)C)=O)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.581
InChIKey:GBCBZEQPHWYHMS-UHFFFAOYSA-N
ID: 55046
SMILES:O=C(O)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 55047
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C(CC=C(C)C2)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 55048
SMILES:O=C1c2c(CCCCC)cc(O)cc2OC(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -16.265
InChIKey:PWPPSFRDUAVFOA-UHFFFAOYSA-N
ID: 55049
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(CCO)(C)C=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.929
InChIKey:FNWFVGXGOCVSSL-UHFFFAOYSA-N
ID: 55050
SMILES:c1(CCCCC)cc2c(c(O)c1C(OC)=O)C(=CC(C)C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -16.304
InChIKey:DULLXWJQQCDALU-UHFFFAOYSA-N
ID: 55051
SMILES:C1(CC(C)C)c2c(O)cc(CCCCC)cc2OC(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.474
CB1 binding score: -15.986
InChIKey:HZCGPKQISMVCRQ-UHFFFAOYSA-N
ID: 55052
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(CO)=CCC1=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.478
InChIKey:OBMXCJVCUPWMNJ-UHFFFAOYSA-N
ID: 55053
SMILES:C1C2C(C)(C)Oc3c(c(OC)cc(C(C)CC)c3)C2CC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.994
InChIKey:ULOQEKKQIWRNGG-UHFFFAOYSA-N
ID: 55054
SMILES:c12c(cc(CCCCCC)cc1)OC(C)(C)C(OC)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.42
CB1 binding score: -15.382
InChIKey:JQFSJAVXXLMJJV-UHFFFAOYSA-N
ID: 55055
SMILES:c1c(O)c(C(=O)C(CC)C)c2c(c1)C1C(C(C)(C)O2)C2C=C(C)CCC2C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.992
InChIKey:OPVLCUXHCNPEGO-UHFFFAOYSA-N
ID: 55056
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(CO)CCC1C2(C)C)C(C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -13.786
InChIKey:WSWBUMWLMNRMLG-UHFFFAOYSA-N
ID: 55057
SMILES:c1(C(O)=O)cc2c(cc1CCCCC)OC(C)(C)c1c-2ccc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.419
CB1 binding score: -17.205
InChIKey:GVFGAZZGMAGYTO-UHFFFAOYSA-N
ID: 55058
SMILES:C(CCCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=CC(=O)C(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -13.814
InChIKey:XZAAPGLKLCWMTF-UHFFFAOYSA-N
ID: 55059
SMILES:C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C(O)C2C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.785
InChIKey:DVWLNCJBBIWJFH-UHFFFAOYSA-N
ID: 55060
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55061
SMILES:C1(C=O)CC2C(C(C)(C)Oc3cc(C)c(OC)cc32)C(C)CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.889
InChIKey:PMWNVCQFCUKHQX-UHFFFAOYSA-N
ID: 55062
SMILES:C12C3=C(C(CCC=C(C)C)C)C(O)C(O)C(C)(C1)OC2C(C)(C)Oc1cc(CCCCC)c(OC)cc13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.731
CB1 binding score: -15.572
InChIKey:GSHGWLBFRHIYJQ-UHFFFAOYSA-N