ID: 53992
SMILES:CC(C)=CCC=C(C=CCC(C)=CCc1c(O)c(C)cc(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.339
InChIKey:YJIJQYKRECIVSO-UHFFFAOYSA-N
ID: 53993
SMILES:CC(C)=Cc1c(O)c(C=O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -15.8
InChIKey:SIDLIJVKMGYOEA-UHFFFAOYSA-N
ID: 53994
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 53995
SMILES:CC(=CCCC(=CCc1c(O)cc(CCCCCO)cc1O)C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.603
CB1 binding score: -16.782
InChIKey:ZKKSUUGHFOIVDB-UHFFFAOYSA-N
ID: 53996
SMILES:C(C(C)=Cc1c(OC)c2c(cc1)C1CC(C)=CCC1C(C)(C)O2)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -17.125
InChIKey:XTRGIRVXMAXMJP-UHFFFAOYSA-N
ID: 53997
SMILES:C(CC(=Cc1ccccc1C1(O)N(C)CC(C)C1)CC)(c1cc2c(cc1O)OC(C)(C)C1C2C=C(C)CC1)CCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 571.846
CB1 binding score: -13.031
InChIKey:UCLSCDXHIFCIQO-UHFFFAOYSA-N
ID: 53998
SMILES:CC(=CCc1c(O)cc(C(C)CCCCC)cc1O)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -14.184
InChIKey:NOVOEVBKKSIZCK-UHFFFAOYSA-N
ID: 53999
SMILES:CC1=CC(=O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.035
InChIKey:KEAXRVVDSBXMMT-UHFFFAOYSA-N
ID: 54000
SMILES:C1CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.568
InChIKey:JXULCRXRUMSDJX-UHFFFAOYSA-N
ID: 54001
SMILES:CC(=CCc1c(O)c(C)cc(OC(C)=O)c1)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.522
InChIKey:PITQHPHVMREBJR-UHFFFAOYSA-N
ID: 54002
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2(O)C=CC3(CCC4(O)CCC(C(C)C)=CC43C)OC(O)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.633
CB1 binding score: -16.124
InChIKey:FQBNGNRVYOBPKM-UHFFFAOYSA-N
ID: 54003
SMILES:C(C)CCCc1c(C(O)=O)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.365
InChIKey:WVOLTBSCXRRQFR-UHFFFAOYSA-N
ID: 54004
SMILES:c1(CCCCC)c(C)c(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)C(Cl)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.956
CB1 binding score: -14.042
InChIKey:FWDSGPLEEPOTLQ-UHFFFAOYSA-N
ID: 54005
SMILES:C(CCCC(=CCc1c(C)c2c(c(OC)c1)OC(C)(C)C1C2CC(=C)C1)C)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -14.587
InChIKey:ZMDCZEWTRLBTJD-UHFFFAOYSA-N
ID: 54006
SMILES:C1(C)CC(C=C(C)C)C(c2c(O)cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.361
InChIKey:UIYGQHTWCTTXQQ-UHFFFAOYSA-N
ID: 54007
SMILES:C=C1CCC(C(C)=C)C(c2c(O)cc(O)cc2CCCCC)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.977
InChIKey:QSYOYNKSNXVISF-UHFFFAOYSA-N
ID: 54008
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2C(C)(C1C)CCC3C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -13.563
InChIKey:CEMOSYWJIHDNST-UHFFFAOYSA-N
ID: 54009
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 54010
SMILES:C1(C)(C)Oc2c(c(O)cc(CCC)c2)C2CC1CC=C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.338
InChIKey:BDFUROSFFQOUBH-UHFFFAOYSA-N
ID: 54011
SMILES:C1(C)=CC2C(c3c(O)cc(CCCCC)cc3O2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.54
InChIKey:HQQOIGUJPMAEPW-UHFFFAOYSA-N
ID: 54012
SMILES:C(C)(C)=CCCC(C)=CCc1c(O)cc(CCCCCO)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.776
InChIKey:WPDKRAAOOWNUMO-UHFFFAOYSA-N