ID: 94438
SMILES:NCCCc1cc(O)c2c(c1CO)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 331.456
CB1 binding score: -16.158
InChIKey:ARFGWYOILSSVLN-UHFFFAOYSA-N
ID: 94439
SMILES:C(CC(C)=CCc1c(O)c2c(CCCCCC)c(C#CC(C)=C)c(O)cc2cc1C=O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.631
CB1 binding score: -15.67
InChIKey:PVVQSMBNVKEUOD-UHFFFAOYSA-N
ID: 94440
SMILES:C1=CC(CCCC)(CC2CC(C)CCC2Cc2c(O)c(C)cc(O)c2)OC1C(C)(C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -13.608
InChIKey:BEXWYYPYDXHPMW-UHFFFAOYSA-N
ID: 94441
SMILES:O(C)c1c(CCCCC)cc(O)c2c1OC(CCC=C(C)C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.924
InChIKey:FOKFXKLESUGAJQ-UHFFFAOYSA-N
ID: 94442
SMILES:CCCCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -14.668
InChIKey:NALFWFMZODYPKD-UHFFFAOYSA-N
ID: 94443
SMILES:C(C)(C)=CCc1c(O)c(C2C(C(=C)C)CCC(C)=C2)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.43
InChIKey:OTJDQLKUGXMYHE-UHFFFAOYSA-N
ID: 94444
SMILES:C(=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C(O)(C)CC1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -16.619
InChIKey:KLCKZEWFXLGSKG-UHFFFAOYSA-N
ID: 94445
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 94446
SMILES:Oc1c2c(cc(C)c1)OC(C(C)CC)CCC(C)=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -13.827
InChIKey:DRRLOJCGPQNNOE-UHFFFAOYSA-N
ID: 94447
SMILES:C(CCCc1cc(OC)c(C2C=C(C)CCC2C(C)=C)cc1)C(C)(C)C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.589
CB1 binding score: -14.549
InChIKey:WXSFDTLLHBANMQ-UHFFFAOYSA-N
ID: 94448
SMILES:OC(=O)c1c(CCCCC)cc2c3c1OC(C)(C)C1CCC(C)(C1)CC32
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -13.949
InChIKey:MEAHZMBQDSHQLF-UHFFFAOYSA-N
ID: 94449
SMILES:C1CC2C(C)(C)Oc3cc(CCCC)c(C(=O)O)c312
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -15.8
InChIKey:HAXLXWNZNQYKRP-UHFFFAOYSA-N
ID: 94450
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.492
InChIKey:XZFSMLMHXWYYAW-UHFFFAOYSA-N
ID: 94451
SMILES:CC(=CCCC1(C)C2C(=C)C(=O)C3C1c1c(O)cc(CCCCC)cc1OC23)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -16.645
InChIKey:PZWIFPMXRRLGMZ-UHFFFAOYSA-N
ID: 94452
SMILES:CC1(Oc2c(CC=C(C)C)c(C(=O)O)c(O)c(CCCCC)c2)CCC(O)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.573
CB1 binding score: -14.55
InChIKey:WKHAEAYBWDUELO-UHFFFAOYSA-N
ID: 94453
SMILES:C=C(C1CCC(C)=CC1c1c(O)cc(C)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 94454
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(C)(O2)CC=C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.972
InChIKey:ZMMDPERLLILPJD-UHFFFAOYSA-N
ID: 94455
SMILES:C(c1cc(O)c2c(c1)OC1(C(C)(O)CC=C2C(C)C)CC1)CCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.694
InChIKey:FYCGFXGOSQPXRQ-UHFFFAOYSA-N
ID: 94456
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 94457
SMILES:c1c(O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.988
InChIKey:FDECQIAQAVZRFF-UHFFFAOYSA-N
ID: 94458
SMILES:C(c1c(CCCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.47
InChIKey:CHQWABWVRHBUKA-UHFFFAOYSA-N