Browse

Molecule Identifiers
Molecular Properties

ID: 118399

SMILES:
c12c(O)c(OCCCC)cc(OC)c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -14.547

InChIKey:
FHPLORKJBKTASY-UHFFFAOYSA-N

ID: 118400

SMILES:
C(CC)CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1C(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 118401

SMILES:
c1(O)cc(C2C=C(C)CCC2C(=C)C)cc(C(C)(C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -15.702

InChIKey:
KXFUNDQPXHAMSM-UHFFFAOYSA-N

ID: 118402

SMILES:
c1(C2CC(C)=CC(c3c(OC)cc(OC)cc3CC=C)C2(C)CCC=C(C)C)cc(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.685

CB1 binding score: -17.334

InChIKey:
RIYWJYXKVIDVRB-UHFFFAOYSA-N

ID: 118403

SMILES:
c1(O)c(C2C=C(C)CCC2C(=C)C)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 118404

SMILES:
COc1cc(CCCCC)cc2c1C1CC(C)(CCC=C(C)CCC=C(C)C1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -15.316

InChIKey:
QKEQMGGDQXARAW-UHFFFAOYSA-N

ID: 118405

SMILES:
C(Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -17.691

InChIKey:
ZBBXHJRPBQMOEE-UHFFFAOYSA-N

ID: 118406

SMILES:
c1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.801

InChIKey:
MISWBPJELUDMFI-UHFFFAOYSA-N

ID: 118407

SMILES:
C(c1cc(O)c(CC2(C)C(C)CCC3(C)C2CC(=O)CC3C)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -13.031

InChIKey:
OKPZWVCOSHOFPK-UHFFFAOYSA-N

ID: 118408

SMILES:
c1(OC)c2c(cc(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.662

InChIKey:
MTJFYDONBDGRHM-UHFFFAOYSA-N

ID: 118409

SMILES:
Oc1c(C(OC)=O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.46

InChIKey:
SDACKWGWQARNIV-UHFFFAOYSA-N

ID: 118410

SMILES:
C(#CC1c2c(cccc2)C(C2C=C(C)CCC2C(C)=C)=C1O)CO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.432

CB1 binding score: -13.457

InChIKey:
OLVFKCSDRWYTTF-UHFFFAOYSA-N

ID: 118411

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C=C12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.792

InChIKey:
XIJZXVKTYPXYMR-UHFFFAOYSA-N

ID: 118412

SMILES:
C1C2C(c3c(O)cc(CCCCC)cc3OC2(C)C)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.479

InChIKey:
LBIQTJYHOQJYJR-UHFFFAOYSA-N

ID: 118413

SMILES:
C(CC)CCc1c(O)c(C=O)c(O)c(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.184

InChIKey:
USWKTDXKGMWACZ-UHFFFAOYSA-N

ID: 118414

SMILES:
C1(C)C(O)CC(C(C)=C)C(c2c(C=O)cc(CCCCC)cc2OC)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -13.894

InChIKey:
KUQLGSUJAJUVKO-UHFFFAOYSA-N

ID: 118415

SMILES:
C1c2c(cc(CCCCC)cc2O)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -18.796

InChIKey:
BFFUWWHIAIGFJU-UHFFFAOYSA-N

ID: 118416

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 118417

SMILES:
Oc1cc(CC=C(C)CCC=C(C)C)c(OC)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.089

InChIKey:
ROYXBHMQLVNDBS-UHFFFAOYSA-N

ID: 118418

SMILES:
C1(=O)C=C(C)CC(c2c(O)cc(CCC)cc2O)C1C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.667

InChIKey:
MOZOWVJADICALG-UHFFFAOYSA-N

ID: 118419

SMILES:
C(C)(C)=CCCC(C)=CCc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

◀5636563756385639564056415642▶
118399–118419 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