ID: 76567
SMILES:C1CCC23c4c(cc(CCCCC[N+](C)(C)C)cc4)OC2(C)CC(O)C(C(C)=C)CC13
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.665
CB1 binding score: -14.801
InChIKey:KDRUWQHFOUMUQZ-UHFFFAOYSA-N
ID: 76568
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 76569
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 76570
SMILES:c1(O)cc(CCCCC)cc(O)c1C1C=C(CCC=C(C)C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.854
InChIKey:ZGNBDHDIIXUCDX-UHFFFAOYSA-N
ID: 76571
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 76572
SMILES:CC(=CCc1c(CC=C(C)C)cc2c(c1)OC(C)(C)C1CC=C(C)CC12)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 364.573
CB1 binding score: -11.114
InChIKey:GEJKAJAUFMILCX-UHFFFAOYSA-N
ID: 76573
SMILES:C(c1c(S(=O)(=O)O)cc(CCCCC)cc1O)C=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.55
CB1 binding score: -15.83
InChIKey:BKERGEBVZAXMHI-UHFFFAOYSA-N
ID: 76574
SMILES:C1(C(C)=C)C2c3c(O)cc(CCC)cc3OC(C)(CC2)C(OC)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.487
InChIKey:KLUIJJIZFOUWHJ-UHFFFAOYSA-N
ID: 76575
SMILES:C1OC12C1(C)CC3c4c(cc(CCCCC)cc4OC3(C)C)CC(C)C1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.058
InChIKey:MTKGUCPRNXNHBM-UHFFFAOYSA-N
ID: 76576
SMILES:C(CCc1cc2c(c(OC)c1OC)OC(C)(C)C1CC=C(C)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -13.5
InChIKey:LRQNCAYLTFKANC-UHFFFAOYSA-N
ID: 76577
SMILES:c1(O)cc(OC)c2c(c1C(CC(C)C)=O)OC(C)(C)C1CC=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -18.008
InChIKey:ABCLAMUVNANKQX-UHFFFAOYSA-N
ID: 76578
SMILES:C1C=C(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 76579
SMILES:C(CCCC)c1cc2c(cc1)OC(CCC(O)C(C)=C)(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.539
InChIKey:QZRIWYMRNPIGKZ-UHFFFAOYSA-N
ID: 76580
SMILES:C(CCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C=O)C=C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -15.026
InChIKey:CODSZEONBKWZAB-UHFFFAOYSA-N
ID: 76581
SMILES:C(C(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.041
InChIKey:PPPYFFUQRXXABZ-UHFFFAOYSA-N
ID: 76582
SMILES:C12C(CCC(C)=CCCC1=C)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -18.356
InChIKey:ZJPTYFKSUONYDF-UHFFFAOYSA-N
ID: 76583
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.892
InChIKey:WBFVHFCVGUDTNV-UHFFFAOYSA-N
ID: 76584
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)=CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.302
InChIKey:MZCLZFQHFRMJRJ-UHFFFAOYSA-N
ID: 76585
SMILES:CC1(OC)C2C(C=C(C)CC2)c2c(O)cc(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.374
InChIKey:ACPXZKMSOKKDPW-UHFFFAOYSA-N
ID: 76586
SMILES:Oc1cc(CCCCC)cc(O)c1C1C(C(=C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 76587
SMILES:Oc1c2c(c(COC=C(CCC=C(C)C)C)cc1OC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.553
InChIKey:MOLKEYZCDSJUGA-UHFFFAOYSA-N