ID: 64681
SMILES:C1CC(C)CC2(O)c3c(O)cc(CCCCC)cc3OC12C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -13.843
InChIKey:ARABNGAQFVUZAB-UHFFFAOYSA-N
ID: 64682
SMILES:C1(c2c(O)cc(CCCC)cc2O)OC(CCC=C(C)C)(C)C2CC(O)C(C(=O)O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -15.951
InChIKey:BFBJQRUBWFYBGK-UHFFFAOYSA-N
ID: 64683
SMILES:c1(CC=C)cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(CC=CC(O)(C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -15.602
InChIKey:VHMAHLQHZWKUQO-UHFFFAOYSA-N
ID: 64684
SMILES:c1c(-c2c(O)c(C3C=C(C)CCC3C(C)=C)[nH]c2)cc(O)c(C2C=C(C)CCC2C(C)=C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 443.631
CB1 binding score: -16.629
InChIKey:NYGAJVJYBBQCGF-UHFFFAOYSA-N
ID: 64685
SMILES:C(C)CCCc1cc2c(c(O)c1)C1(O)C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.313
InChIKey:XIIAOXXFRJHRGJ-UHFFFAOYSA-N
ID: 64686
SMILES:C1(O)C(C)=CC23C1C(C)CC(C)C2C1c2c(O)cc(CCCCC)cc2OC3C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -13.644
InChIKey:BQDFZMZFDIVTCI-UHFFFAOYSA-N
ID: 64687
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(C(CC)C)(O)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.592
CB1 binding score: -16.542
InChIKey:XYFLPOJQZSCLRP-UHFFFAOYSA-N
ID: 64688
SMILES:C(CCC)c1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -17.168
InChIKey:PXESYMJXKGDOTG-UHFFFAOYSA-N
ID: 64689
SMILES:C1C2C(C)(C)C(CN(C)C)=CCC2(C)Oc2c1cc(O)cc2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 301.43
CB1 binding score: -15.929
InChIKey:QEBPXJWOABOHQA-UHFFFAOYSA-N
ID: 64690
SMILES:C1(C)CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.143
InChIKey:CIVSDEYXXUHBPV-UHFFFAOYSA-N
ID: 64691
SMILES:c1(O)c2c(c(OC)cc1CCCCC)C1C(CC=C(C)C)(CC1=O)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.432
InChIKey:STYCOEONBOOVAQ-UHFFFAOYSA-N
ID: 64692
SMILES:Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 64693
SMILES:C123C(CC=C(C)C1C(c1c(O)c(C(O)=O)c(CCCCC)cc1O)C2(C)C)OC(C(O)(C)C)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.649
CB1 binding score: -14.912
InChIKey:VQYMHAVZAWHVDB-UHFFFAOYSA-N
ID: 64694
SMILES:O1C(c2c(O)cc(CCC)cc2O)CC(C(C)=C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -12.534
InChIKey:QECUURRBHBEECX-UHFFFAOYSA-N
ID: 64695
SMILES:C(C)C1C2C(c3c4sc(=O)[nH]c4c(CCCCC)cc3O)(O)CC(C)=CC2C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 469.691
CB1 binding score: -16.207
InChIKey:URGPQPLFOZDLIA-UHFFFAOYSA-N
ID: 64696
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(O)(C)C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.298
InChIKey:TZGCTXUTNDNTTE-UHFFFAOYSA-N
ID: 64697
SMILES:C(CCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2)CCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.593
CB1 binding score: -16.045
InChIKey:IEJDLTWSCOMFKC-UHFFFAOYSA-N
ID: 64698
SMILES:C1(C)=CC(c2c(OC)cccc2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -18.382
InChIKey:PIWOIVDTYQHIGV-UHFFFAOYSA-N
ID: 64699
SMILES:C(=C(C)C(O)(CC=C(C)C)CCC(C)=CCc1cc(O)c(C)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.769
InChIKey:LWZICSWGTDYDFQ-UHFFFAOYSA-N
ID: 64700
SMILES:OC(C)(C)c1ccc2c(c1)OC(C)(C)CCC2NCCC
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 291.435
CB1 binding score: -14.758
InChIKey:TVOVCFCPVOUYTI-UHFFFAOYSA-N
ID: 64701
SMILES:C(CCC)C(c1cc(O)c(C2C=C(C)CCC2C(CCCC(C)C)=C)cc1C(=O)O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -12.115
InChIKey:TYGHIASYOBFSNQ-UHFFFAOYSA-N