ID: 18418
SMILES:O=CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.053
InChIKey:HQRKNUDGMPVIMO-UHFFFAOYSA-N
ID: 18419
SMILES:c1c2c(c(CCCCC)cc1O)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -16.305
InChIKey:GYVBGFCVZWRCSM-UHFFFAOYSA-N
ID: 18420
SMILES:C1(c2c(O)cc(CCCC)cc2O)C=C(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 18421
SMILES:C1C2(C)OC3C(CC2)C1c1c(O)cc(CCCCC)cc1OC3(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.502
InChIKey:JYNYBGMRZHWQKP-UHFFFAOYSA-N
ID: 18422
SMILES:CC1(C)C23C(C(C)=CCC(Br)C2(C)CC3C(=O)c2cc(C(CCl)O)c(O)c(Br)c2C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 576.753
CB1 binding score: -14.387
InChIKey:QQDSGQGVUZEZOF-UHFFFAOYSA-N
ID: 18423
SMILES:Oc1c(CC=C(C)CCC=C(C)C)cc(O)c(CC(=O)C(C)(C)O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.609
InChIKey:XSSNDCAFMLCAMO-UHFFFAOYSA-N
ID: 18424
SMILES:CCCCCc1cc2c(c(O)c1)C1C=C(C(=O)O2)CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.031
InChIKey:KHPXTADABRYSCQ-UHFFFAOYSA-N
ID: 18425
SMILES:OC1C(C)C2(CC1)c1c(O)cc(C)cc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -15.417
InChIKey:IPCXPNXEGIQKQP-UHFFFAOYSA-N
ID: 18426
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 18427
SMILES:C1(c2c(O)cc(CCCCC)cc2O)CC2(CO2)C(OC(C)=O)CC(C(=C)C)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -14.523
InChIKey:FRXQBWBXJJPLBC-UHFFFAOYSA-N
ID: 18428
SMILES:C(C)CCCc1cc2c(c(O)c1)C1CC(C)CCC1C(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -17.01
InChIKey:OXKXHELPFYTKNH-UHFFFAOYSA-N
ID: 18429
SMILES:C(C=C(C)C)CC(C)CC(O)CC(=CCc1cc(O)cc(C)c1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.033
InChIKey:YZFOPFXISIEBBH-UHFFFAOYSA-N
ID: 18430
SMILES:C(CCC(C)=CCc1c(O)c(C)cc(OC)c1)=C(C)C#CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -17.639
InChIKey:NFVPJEXAKNHWTP-UHFFFAOYSA-N
ID: 18431
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 18432
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1OC3C(C)(CCC1C(C)(O)CC2)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -16.82
InChIKey:BNVFVQOMJJFZMW-UHFFFAOYSA-N
ID: 18433
SMILES:CC1=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.523
InChIKey:HSZYTHRUDDTKOL-UHFFFAOYSA-N
ID: 18434
SMILES:C1C=C(C)CCC(C(O)(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: Not available
InChIKey:DFCLRXJHKMJKJN-UHFFFAOYSA-N
ID: 18435
SMILES:C1CC(C)C2C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.748
InChIKey:KVIUZCORYUKBDQ-UHFFFAOYSA-N
ID: 18436
SMILES:C(CCCCc1cc(OC2C=C(C)CCC=C(C)CCCC(C)(C)O2)ccc1)C(=O)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -15.519
InChIKey:AQJUFYVJWFUXML-UHFFFAOYSA-N
ID: 18437
SMILES:C1(CO)(C)C2C(=O)C=C(C)CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.904
InChIKey:CUUQSHYTUOTXTI-UHFFFAOYSA-N
ID: 18438
SMILES:c1(CCCCC)cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(C(=O)O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.706
InChIKey:LCQRHLUIMXHDPP-UHFFFAOYSA-N