Browse

Molecule Identifiers
Molecular Properties

ID: 138286

SMILES:
O=C(Oc1cc(CC=C(C)CCC=C(C)C)c2c(c1)OC(C)(C)CC2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -17.055

InChIKey:
OMNRGOISZXONSE-UHFFFAOYSA-N

ID: 138287

SMILES:
C(=C(CC(C=C(C)C)=O)C)Cc1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.418

InChIKey:
LGODBTZHJXNSNC-UHFFFAOYSA-N

ID: 138288

SMILES:
CC1=CCC(C)(C)C=CCC2(C)Oc3cc(CCCCC)cc(OC)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.043

InChIKey:
VMZOZBIPRFIOCG-UHFFFAOYSA-N

ID: 138289

SMILES:
C1C(C)COc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -18.588

InChIKey:
NGWFDQUUPDZYQO-UHFFFAOYSA-N

ID: 138290

SMILES:
Oc1c(C)c(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.527

InChIKey:
ADYCLARNGCYRSF-UHFFFAOYSA-N

ID: 138291

SMILES:
Oc1c(C2OC(=O)C(CCC=C(CCC=C(C)C)C)(C)O2)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -12.904

InChIKey:
TYRGEHYPBIRROR-UHFFFAOYSA-N

ID: 138292

SMILES:
c1(OC)c(OC)cc(C(OC)=O)c2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -16.608

InChIKey:
GMOFHPMLKOSWGF-UHFFFAOYSA-N

ID: 138293

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.334

InChIKey:
KAWLFZLGIPXNTP-UHFFFAOYSA-N

ID: 138294

SMILES:
c1c(O)c(CC=C(C)CCC=C(C)C)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -16.476

InChIKey:
SVTKUSUUTGMJAO-UHFFFAOYSA-N

ID: 138295

SMILES:
C1CC=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C(=O)C2=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -14.625

InChIKey:
CUABFVDIVFFRPW-UHFFFAOYSA-N

ID: 138296

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C1)CCC1C2(C)CCCC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -17.428

InChIKey:
OOTZOANBZIWMLU-UHFFFAOYSA-N

ID: 138297

SMILES:
O(c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)C=C1)C(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.502

InChIKey:
RFRNNQWZWDBRBV-UHFFFAOYSA-N

ID: 138298

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3OC2)C(C(O)=O)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.997

InChIKey:
YAEZRGMWUXUWQM-UHFFFAOYSA-N

ID: 138299

SMILES:
C1(C(=C)C)CCC(C)(O)C2Oc3cc(C)cc(O)c3C21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.646

InChIKey:
JUEQMXVOZPWLKJ-UHFFFAOYSA-N

ID: 138300

SMILES:
C(C(CC(=O)C)=O)c1ccc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -14.312

InChIKey:
JQEBUJLWSFXIAF-UHFFFAOYSA-N

ID: 138301

SMILES:
C(C)(OC)c1cc(O)cc2c1OC(CCC=C(C)C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -12.814

InChIKey:
IQBHIZNRKQBKJQ-UHFFFAOYSA-N

ID: 138302

SMILES:
C(CC=C(C)CC1c2c(O)c(C)cc(O)c2OC1(C)C)C(C)(C=C)OC(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -19.788

InChIKey:
ASPUFKZNFRWADO-UHFFFAOYSA-N

ID: 138303

SMILES:
C(Cc1cc(O)c(CC=C(C)CCC(C(O)(CC)C)=O)c(OC)c1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -17.166

InChIKey:
MVBHYZWKMNMDII-UHFFFAOYSA-N

ID: 138304

SMILES:
c1c(O)c(C(C)CC)c2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.101

InChIKey:
OHSVWLFVEBZEDY-UHFFFAOYSA-N

ID: 138305

SMILES:
CC1(C)Oc2c(cc(CCCCC)cc2O)CC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -16.907

InChIKey:
CWMZTCDIYOJEEK-UHFFFAOYSA-N

ID: 138306

SMILES:
C12CC(C(=C)C)C(c3ccccc3)=CC1(C)Oc1c(cc(CCCCC)cc1O)C2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.605

CB1 binding score: -14.432

InChIKey:
YCPLIRLYRUUQAA-UHFFFAOYSA-N

◀6583658465856586658765886589▶
138286–138306 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties