ID: 49435
SMILES:C1c2c(O)c(CCCCC)cc(O)c2CC(=C)CCC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.773
InChIKey:GFXZSVMHBNAZHG-UHFFFAOYSA-N
ID: 49436
SMILES:C(C(OC(C)=O)Cc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -14.285
InChIKey:CWLGDMMIUOMVFK-UHFFFAOYSA-N
ID: 49437
SMILES:C12CC(C)C(C)CC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.062
InChIKey:IIODXGRUYJPCHI-UHFFFAOYSA-N
ID: 49438
SMILES:C1OC2C=C(C)C3C(c4c(cc(CCO)c(C=O)c4O)OC3(C)C)CC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -16.107
InChIKey:QKBXPFNBGYMPNW-UHFFFAOYSA-N
ID: 49439
SMILES:C1(O)C(CC(O)(C)CCC=C(C)CCC=C(C)C)Oc2c1c(O)cc(CCCCCO)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.628
CB1 binding score: -16.751
InChIKey:BAYAIXGVGCWTDT-UHFFFAOYSA-N
ID: 49440
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2cc(C)ccc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 49441
SMILES:CC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C=CC(O)C(=C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.821
InChIKey:OCXNZLIVHPQYCL-UHFFFAOYSA-N
ID: 49442
SMILES:CC1(C)Oc2cc(CCC)cc(O)c2C2=C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -17.334
InChIKey:VDKNBZXWKJZOFO-UHFFFAOYSA-N
ID: 49443
SMILES:Oc1c(C=O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.503
InChIKey:ZDWOQDQFJDNZLM-UHFFFAOYSA-N
ID: 49444
SMILES:Oc1c(CC=C(C)C=O)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -17.823
InChIKey:NECQRHMYSLMJKI-UHFFFAOYSA-N
ID: 49445
SMILES:c1c(CC(O)(C)C)cc(O)c(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.61
InChIKey:BLALBJOHSCBJQL-UHFFFAOYSA-N
ID: 49446
SMILES:OC(=O)c1c(CCCCCC)cc(O)c2c1OC1(C)C2CC(C(C)C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.473
InChIKey:UCFJBFAMPXTWLW-UHFFFAOYSA-N
ID: 49447
SMILES:c1c(O)cc(CCCCC)c(C2C(C(O)(C)C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.982
InChIKey:VSVAXGXPRMIUEH-UHFFFAOYSA-N
ID: 49448
SMILES:C1(C(C)=C)C(O)CC2(C)Oc3c(c(O)cc(C)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -16.849
InChIKey:QBINDWMDNWBMAQ-UHFFFAOYSA-N
ID: 49449
SMILES:C1(=O)C2(C)CCC(C(C)=C)=CC3(C)Oc4c(c(OC)cc(CCCC(O)CC)c4O2)C3CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -14.931
InChIKey:KIUUGPLFDKXTTH-UHFFFAOYSA-N
ID: 49450
SMILES:CC(C)=CCCC(C)=CCc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 49451
SMILES:O(c1c2c(cc(C)c1)OC(CCC1=C(C)CCC(O)C1(C)C)(C)CCC2C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -14.484
InChIKey:VWAUTLLPIYPZIV-UHFFFAOYSA-N
ID: 49452
SMILES:c1(O)c(O)c(C(=O)C(C)CC)c2c(c1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.687
InChIKey:WOVNWIDHVQRVRC-UHFFFAOYSA-N
ID: 49453
SMILES:C(CCCC)c1cc(O)c2c(c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.677
InChIKey:KOVIXEDIXZAYDD-UHFFFAOYSA-N
ID: 49454
SMILES:C1C(=C)C2C3c4c(cc(CCCCC)c(C(=O)O)c4O)OC(C)(C)C3CCC(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -13.779
InChIKey:XCQOZWFLVJIFOY-UHFFFAOYSA-N
ID: 49455
SMILES:C1=Cc2c(cc(CCCCC)cc2O)OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N