Browse

Molecule Identifiers
Molecular Properties

ID: 71296

SMILES:
C1c2c(O)cc(C)cc2OC(C)(C)C(CCC(C=C)(O)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -14.952

InChIKey:
RQBGMJGFPXGKKK-UHFFFAOYSA-N

ID: 71297

SMILES:
C(Cc1cc(O)cc(CC=C(C)CCC=C(C)C)c1O)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.748

InChIKey:
VRXKPPYOGGSRFK-UHFFFAOYSA-N

ID: 71298

SMILES:
C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 71299

SMILES:
C(CC)Cc1c(O)c(C2C(C(C)(C)O)CCC(C)=C2)c(C(C)C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -12.555

InChIKey:
MUXFOLZEVQXUBP-UHFFFAOYSA-N

ID: 71300

SMILES:
Oc1c(CCCCC)cc(O)c2c1OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.694

InChIKey:
NEHLYNVNPXKHCM-UHFFFAOYSA-N

ID: 71301

SMILES:
c1(CCCCC)cc2c(c(O)c1C=O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.972

InChIKey:
XMFATGXZFZMSFO-UHFFFAOYSA-N

ID: 71302

SMILES:
Oc1c(CC=C(C)CCC=C(C)C)cc(O)cc1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.748

InChIKey:
VRXKPPYOGGSRFK-UHFFFAOYSA-N

ID: 71303

SMILES:
CC1(C)C2CCC(C)(O)CC2c2c(cc(CCCCC)c(C(=O)O)c2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -17.123

InChIKey:
VSZQEUYHLCIKBY-UHFFFAOYSA-N

ID: 71304

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 71305

SMILES:
C1CC(=O)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC=C1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.044

InChIKey:
GNBVNOYYTBOGGV-UHFFFAOYSA-N

ID: 71306

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 71307

SMILES:
O1c2cc(CCCCC)cc(O)c2C2OC(C)(C)C3CCC(C)(O3)C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.173

InChIKey:
HGYRYWBJEOODSG-UHFFFAOYSA-N

ID: 71308

SMILES:
C1(=O)C(O)=C2c3c(cc(C)cc3O)OC(C)(C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.316

CB1 binding score: -17.26

InChIKey:
YUSRXRMTUUIIIK-UHFFFAOYSA-N

ID: 71309

SMILES:
C1C(C(C)C)C(c2c(O)c(C=O)c(CCCCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.518

InChIKey:
WQNXPIDJGPWIFL-UHFFFAOYSA-N

ID: 71310

SMILES:
C1CC(OC(=O)C)C(C)(C)C2C1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.214

InChIKey:
WPSARXVGVRRFGW-UHFFFAOYSA-N

ID: 71311

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(COC(=O)C)=CC(=O)C1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -17.545

InChIKey:
YXRNABOLUNLGCU-UHFFFAOYSA-N

ID: 71312

SMILES:
Oc1c(CCCCC)cc2c(c1)C1C=C(C)CCC1C(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.374

InChIKey:
UTTLWKXFGXLPAZ-UHFFFAOYSA-N

ID: 71313

SMILES:
C(CC=C(C)C)C(OC(=O)C)(C1Cc2c(C(O)=O)cc(CCCCC)cc2O1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -16.949

InChIKey:
RAQPITKEUDFPBB-UHFFFAOYSA-N

ID: 71314

SMILES:
CC(O)(C1Oc2cc(CCCCC#C)cc(O)c2C1)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.434

InChIKey:
IRDCSDLHGZHWCT-UHFFFAOYSA-N

ID: 71315

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C(=O)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.273

InChIKey:
JQYZAEHLANXRIL-UHFFFAOYSA-N

ID: 71316

SMILES:
C12(CO)C=C(C)C(CC1)c1c(c(O)cc(CCCCC)c1)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -13.901

InChIKey:
IZLUWRHUHSJREI-UHFFFAOYSA-N

3393339433953396339733983399
71296–71316 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