Browse

Molecule Identifiers
Molecular Properties

ID: 121255

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC(C(=C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.502

InChIKey:
MVKJRJZQXGJLRW-UHFFFAOYSA-N

ID: 121256

SMILES:
C(C)(=CCCC(C)=CCOc1c(O)cc(CCCCC)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.108

InChIKey:
HUOSBKDCWCFSDM-UHFFFAOYSA-N

ID: 121257

SMILES:
c1(C)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 121258

SMILES:
C12c3cc(O)ccc3OC(C)(C)C1CCC(C)=CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.01

InChIKey:
MMHWWLXBHPPCDZ-UHFFFAOYSA-N

ID: 121259

SMILES:
C1(C(C)C)CCC(C)=CC1c1c(O)c(-c2ccc(CCCCC)cc2O)c(O)c(CC=C(C)CCC=C(C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 560.819

CB1 binding score: -16.387

InChIKey:
FCZFGKCKGVANAX-UHFFFAOYSA-N

ID: 121260

SMILES:
C(CO)CCc1cc2c(c(O)c1)C1C=C(C)CCC1C1(CCC(C(C)(C)O)O1)C(=O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.541

CB1 binding score: -14.113

InChIKey:
VOJJIYKSHGVAHU-UHFFFAOYSA-N

ID: 121261

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.641

InChIKey:
DIAQZXKHJZYPLW-UHFFFAOYSA-N

ID: 121262

SMILES:
C1(C)C2(C)CCC(C)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -15.369

InChIKey:
HOSLCLWQTWLCJO-UHFFFAOYSA-N

ID: 121263

SMILES:
OC(C=C(C)C)c1cc(C2C=C(C)CCC2C(=C)C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -13.169

InChIKey:
OWWRYBMTVPJPLV-UHFFFAOYSA-N

ID: 121264

SMILES:
COc1cc(CC=C(C)C)c(O)cc1CC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.159

InChIKey:
SNSOBJQITAPANC-UHFFFAOYSA-N

ID: 121265

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 121266

SMILES:
Oc1c2c(c(OC)cc1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -15.871

InChIKey:
VYKVWVXSEROZSO-UHFFFAOYSA-N

ID: 121267

SMILES:
c1(CC(C)=CCc2c(O)cc(CCCCC)cc2OC)c(O)c(CC=C(C)C)c(O)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -15.323

InChIKey:
FHEZRMIMEMHMET-UHFFFAOYSA-N

ID: 121268

SMILES:
C1c2c(c(C)c(C)cc2O)C2C(C1)C(C)(C)OC2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -14.204

InChIKey:
KEGMKZARLKODBD-UHFFFAOYSA-N

ID: 121269

SMILES:
C(CCC(C(C)=C)=O)(=CCc1c(O)cc(CCC)cc1O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.929

InChIKey:
IYXLPIHNMWZTNA-UHFFFAOYSA-N

ID: 121270

SMILES:
COc1c(C2C(C(C)=CCC=C(C)C)CCC(C)=C2)c(O)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.025

InChIKey:
QZRIWJUXFRBIJF-UHFFFAOYSA-N

ID: 121271

SMILES:
O=C(CCC(C(=C)C1CC=C(C)C(=O)C1c1c(O)cc(CCCCC)cc1O)O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.514

CB1 binding score: -16.434

InChIKey:
NVSHJPOHBRZNQL-UHFFFAOYSA-N

ID: 121272

SMILES:
c1c(C2C(C(=C)C)CCC(C)=C2)c(O)ccc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.401

InChIKey:
YRXZLRWBEYIBHE-UHFFFAOYSA-N

ID: 121273

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C)CC(C)(C)C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.185

InChIKey:
XAHCMGICRXXZNM-UHFFFAOYSA-N

ID: 121274

SMILES:
Oc1cc(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: 121275

SMILES:
C(CC)CCc1cc(O)c(O)c(C2C(C(C)=C)CCC(C)=C2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
VEBHZTTZGZYZIW-UHFFFAOYSA-N

◀5772577357745775577657775778▶
121255–121275 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