ID: 56596
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)(O)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.25
InChIKey:PGZISGZFEFJPOZ-UHFFFAOYSA-N
ID: 56597
SMILES:C1C2C=C(C=O)CCC2C(C)(C)Oc2cc(CCCCC)ccc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -13.039
InChIKey:RAFOKQORFJWBSA-UHFFFAOYSA-N
ID: 56598
SMILES:C(C)CCCc1c(C(=O)O)c(O)c(O)c(CC=C(C)CCC=C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.279
InChIKey:SPBBBNVMIYXEGK-UHFFFAOYSA-N
ID: 56599
SMILES:C(CCCC)Cc1c2c(cc3c1OCO3)C1CC(C)(O2)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.251
InChIKey:LGGJSNQBLGUCBR-UHFFFAOYSA-N
ID: 56600
SMILES:CC1(C)C2C3(CC1)Oc1c(c(O)c(C(=O)O)c(CCCCC)c1)C2CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.341
InChIKey:GWCJXDOJTJDQAE-UHFFFAOYSA-N
ID: 56601
SMILES:CC1=CC2(O)C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C2CC1CC2C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.683
InChIKey:ZNJLIQRMLHFBSE-UHFFFAOYSA-N
ID: 56602
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(O)CCC1C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.961
InChIKey:CNKSTABSFLNANJ-UHFFFAOYSA-N
ID: 56603
SMILES:O1c2cc(CCCCC)cc(O)c2C23OC1(C(=O)CC2)CC(C(C)(O)C)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: -15.051
InChIKey:IGNAFZTZUUZYCA-UHFFFAOYSA-N
ID: 56604
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2=CC(C(C(C)C)CC)OC2CC(O)(C)C(O)CCC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.682
CB1 binding score: -16.253
InChIKey:KYJFBVNLLCXQMD-UHFFFAOYSA-N
ID: 56605
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 56606
SMILES:NC(C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.467
CB1 binding score: -15.637
InChIKey:XHVBROUJLOTGNO-UHFFFAOYSA-N
ID: 56607
SMILES:C(Cc1c(C(=O)OCC)c(O)c(CC=C(C)C)c(O)c1)CCCC
Pathway: Polyketides;Shikimates and Phenylpropanoids
Superclass: Phenolic acids (C6-C1);Meroterpenoids
Class: Cannabinoids;Shikimic acids and derivatives;Simple phenolic acids
MW: 334.456
CB1 binding score: -16.269
InChIKey:ZKNMICQHVUYFRJ-UHFFFAOYSA-N
ID: 56608
SMILES:CC1CCC2C(C(O)=C1C=O)C(C)(C)Oc1c2cc(CCCC)c(OC(C)=O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -14.571
InChIKey:KOCZSNSNQBACTR-UHFFFAOYSA-N
ID: 56609
SMILES:C12(CC(C(CCCO)C)C(=C)C3CC(C1)C(C)(C)Oc1cc(CCCCC)cc(c31)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -15.984
InChIKey:IPYGILVZHRLAHO-UHFFFAOYSA-N
ID: 56610
SMILES:C(CC=C(C)C)C(C)=CCc1cc(O)c(C)cc1OC(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -19.332
InChIKey:HAXRQCRJABYNJC-UHFFFAOYSA-N
ID: 56611
SMILES:OC1(C)CC2C(C(C)(C)Oc3c2c(O)cc(C)c3)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -16.984
InChIKey:HUXAURRMVUACNV-UHFFFAOYSA-N
ID: 56612
SMILES:C1(C)(C2c3c(O)cc(C)cc3[N+](C)(C)C2C)CCC(C(C)(C)O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.48
CB1 binding score: -15.778
InChIKey:NUUUHOMSNIUBFH-UHFFFAOYSA-O
ID: 56613
SMILES:Cc1c(C)c(CCCCC)cc2c1C=CC(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.405
CB1 binding score: -16.55
InChIKey:XNYLFYDHEVITCO-UHFFFAOYSA-N
ID: 56614
SMILES:O1c2cc(CCCCC)c(C(=O)O)c(O)c2C2C1(C)CCC(C(=C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.856
InChIKey:ROBNBVQKRJDVJF-UHFFFAOYSA-N
ID: 56615
SMILES:c1([N+](O)=O)cc(CCCCC)cc2c1OC(C)(C)C1CCC(C)=C1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.475
CB1 binding score: -15.026
InChIKey:MGZAWFUTIJBBLH-UHFFFAOYSA-N
ID: 56616
SMILES:CC(CO)=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -18.124
InChIKey:GUMRKMJJLHFLMN-UHFFFAOYSA-N