ID: 63022
SMILES:C(=O)(C(=C)CC1CC(C)=CC2c3c(C)cc(=O)oc3OC(C)(C)C2C1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -16.699
InChIKey:PAWPITRIZFFHRI-UHFFFAOYSA-N
ID: 63023
SMILES:OC(C)(C1C(O)C(=O)C(C)=CC1c1c(O)cc(CCCCCO)c(C(=O)O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.475
CB1 binding score: -16.863
InChIKey:LDYJJOWKPMWBJR-UHFFFAOYSA-N
ID: 63024
SMILES:O1C2C(O)C(OS(O)(=O)=O)(O)C(COC(=O)C)C3C(c4c(O)cc(CCCCC)cc4OC3(C)C)(O)C(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 574.645
CB1 binding score: -13.754
InChIKey:PNWJCUCAQRTOFU-UHFFFAOYSA-N
ID: 63025
SMILES:c12c(C(=O)C(CC)C)cc(O)cc1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.69
InChIKey:QGILPILQFDZYEV-UHFFFAOYSA-N
ID: 63026
SMILES:C(CCCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=C=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -13.962
InChIKey:BOALNAQYLMFBRN-UHFFFAOYSA-N
ID: 63027
SMILES:c1(CCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)C(OC(=O)C)CC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.605
InChIKey:FTUDSTQZNHCBDE-UHFFFAOYSA-N
ID: 63028
SMILES:c1c(CCCCCCC)ccc(C2C(C(C)=C)CCC(C)=C2)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.525
CB1 binding score: -15.539
InChIKey:PWWNCMOILSSXNB-UHFFFAOYSA-N
ID: 63029
SMILES:c1(=O)c(C)cc(O)c2c3c(c(C)ccc12)OC(CO)(C)C1C3C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.457
CB1 binding score: -16.129
InChIKey:KMDOTGNGGWGURH-UHFFFAOYSA-N
ID: 63030
SMILES:CC1(O)CCC(C(C)=C)C1c1cc(CCCC(C)O)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -14.922
InChIKey:ZUNNEYISZQCODJ-UHFFFAOYSA-N
ID: 63031
SMILES:Oc1c2c(cc(C(C)(C=C)CCCC(C)C)c1O)OC(C)(C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.702
InChIKey:MPWAEPDFKWQCES-UHFFFAOYSA-N
ID: 63032
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2=C(C)CC(O)C3C(C)(C)C3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.444
InChIKey:WDEFGVPFNJOJDP-UHFFFAOYSA-N
ID: 63033
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 63034
SMILES:C1=C(C)CC2(OO)C(=C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.515
InChIKey:CLSGCYLNVCJASU-UHFFFAOYSA-N
ID: 63035
SMILES:CC12CCCC(C)(Oc3c(O)c(C(C)CC)cc(C(CC)(C)C)c3)C1CC(=O)C(O)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.656
CB1 binding score: -14.833
InChIKey:QDLHQJLUWSQCFM-UHFFFAOYSA-N
ID: 63036
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.8
InChIKey:RAYRUJHFLUVASM-UHFFFAOYSA-N
ID: 63037
SMILES:C12C(C(C)(C)Oc3c1c(O)cc(CCCCC)c3)C1OC(=O)C(=C)C1CCC1(C)C2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -16.608
InChIKey:HTHQWVHEYSBCSV-UHFFFAOYSA-N
ID: 63038
SMILES:C(C=C(C)C)C1C(=O)C(C)=CC1c1ccc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -15.672
InChIKey:CREPKCVMUJCFSA-UHFFFAOYSA-N
ID: 63039
SMILES:C(CCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)C=C(C)CCC=C(CO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -15.653
InChIKey:XDTNAXYZIACELD-UHFFFAOYSA-N
ID: 63040
SMILES:c1(CCCCCCC)cc2c(c(O)c1)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.334
InChIKey:MFRLGFBNEKYGNS-UHFFFAOYSA-N
ID: 63041
SMILES:C(CC(C)=CCCC1(C)Oc2c(C)cc(OC)cc2C=C1)=CC(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.374
InChIKey:DYQRQYYFQIHDQN-UHFFFAOYSA-N
ID: 63042
SMILES:CC1(C)CC(c2c(O)cc(CCCCC)cc2O)C(C=CCC)(O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.565
CB1 binding score: -15.288
InChIKey:QAWOZLRZALPYGK-UHFFFAOYSA-N