ID: 65500
SMILES:C=C(C)C1C(c2c(O)cc(Br)c(O)c2)OC(CCC(O)C(C)(O)C)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 443.378
CB1 binding score: -11.863
InChIKey:CJJQQIHSGXPTPU-UHFFFAOYSA-N
ID: 65501
SMILES:Oc1c(C2COc3c(c(CCC(CC)OCC)cc(CC[N+](O)(C)O)c3)C2)c(OC)cc(CCCCC)c1C1CC(C)(C)OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 656.925
CB1 binding score: -14.755
InChIKey:XKECLMAFCAGHGN-UHFFFAOYSA-O
ID: 65502
SMILES:C1C2(c3c(cc(CCCCC)cc3OC)OC2(C)C)C(=O)C(C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.73
InChIKey:ICFWBROIPNQCBG-UHFFFAOYSA-N
ID: 65503
SMILES:C(CC(CC=CCC)C)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.266
InChIKey:XQECWMSWYCMSAW-UHFFFAOYSA-N
ID: 65504
SMILES:C(C)(C)C1CCC(C)C2C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.059
InChIKey:DFDPTHLLXVCMEU-UHFFFAOYSA-N
ID: 65505
SMILES:C(C)CCc1cc(O)c2c(c1)OC1(C)CCC(C(C)(C)O)C(C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.12
InChIKey:LVOHUBDATLHVAT-UHFFFAOYSA-N
ID: 65506
SMILES:c1(O)c2c(cc(O)c1)C(=O)C1CC(=O)OC(C)(C)C1CC=C(C)CCC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.499
CB1 binding score: -14.892
InChIKey:UGZHEGBDCXPCBG-UHFFFAOYSA-N
ID: 65507
SMILES:C1c2c(OC)cc(CCCCC)cc2OC(CO)(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.419
CB1 binding score: -14.861
InChIKey:YQWDAMSGVAOUIZ-UHFFFAOYSA-N
ID: 65508
SMILES:C(C(C)C=C(C)C)C(=O)c1c(O)cc(O)c2c1OC(C)(C)C1CCC(=C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -15.438
InChIKey:LMEHGGDQUCLZBH-UHFFFAOYSA-N
ID: 65509
SMILES:C1(C)(C)CCC2(c3c(cc(CCCCC)cc3O)O1)OC(CC)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -15.916
InChIKey:GMCMROGQNGXGNP-UHFFFAOYSA-N
ID: 65510
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=CCCC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -18.356
InChIKey:ZJPTYFKSUONYDF-UHFFFAOYSA-N
ID: 65511
SMILES:C1CC(O)C2(C)CCC3C2(c2c(cc(CCCCC)cc2O)O3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.481
InChIKey:KROAUCZFJXSVID-UHFFFAOYSA-N
ID: 65512
SMILES:OC12C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C1CC(C(C)=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.211
InChIKey:NTDGPIJZNNJRMW-UHFFFAOYSA-N
ID: 65513
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3O)OC2(C)CCC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.068
InChIKey:BQODIGDQZHJWIS-UHFFFAOYSA-N
ID: 65514
SMILES:C(c1c(O)c2c(c3c1cccc3)OC(C)(C)C1CCC(C)=CC21)CC(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.528
CB1 binding score: -16.502
InChIKey:JZGFRJJAPWQTJB-UHFFFAOYSA-N
ID: 65515
SMILES:CC1=C2CC(C1)C(C)CC1c3c(OC(C(C)CC)=O)cc(CC(C)C)c(O)c3C1CC(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: -15.046
InChIKey:PEAPBNYASFUUBA-UHFFFAOYSA-N
ID: 65516
SMILES:c12c(cc(CCCCC)cc1O)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: 65517
SMILES:c12c(ccc(C)c1)OC(C)(C)C1CCC(CO)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.816
InChIKey:CBLWBJJVZQLACD-UHFFFAOYSA-N
ID: 65518
SMILES:C1=C(C=O)CCC(C(C)C)C1c1c(O)cc(CCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.001
InChIKey:YAAXCTJKOBGNRJ-UHFFFAOYSA-N
ID: 65519
SMILES:C(=O)(CC1C2C(c3c(OC)cc(CCCCC)cc3OC2(C)C)=O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.166
InChIKey:GUNQJRJWNMPWNS-UHFFFAOYSA-N
ID: 65520
SMILES:C(CC=CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.642
CB1 binding score: -15.374
InChIKey:QQCQNFPJWLXBHV-UHFFFAOYSA-N