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Molecule Identifiers
Molecular Properties

ID: 124006

SMILES:
C(c1cc(O)c(CC=C(C)C)c(OC)c1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -17.365

InChIKey:
KSOYTXUNNFGYNA-UHFFFAOYSA-N

ID: 124007

SMILES:
c1(OC)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 124008

SMILES:
C1CC2(C)c3c(O)cc(CCC=CC)cc3OC(C)(C)C2CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.603

InChIKey:
GPZMPBHHNYGSBH-UHFFFAOYSA-N

ID: 124009

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCC)cc2OC)C1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.904

InChIKey:
CYFBETKVWBWDCK-UHFFFAOYSA-N

ID: 124010

SMILES:
c1(=O)cc(C)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -16.086

InChIKey:
JKNVYQARAQEBCA-UHFFFAOYSA-N

ID: 124011

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CCC21)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.549

InChIKey:
LRHNKNVCXFUDJK-UHFFFAOYSA-N

ID: 124012

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 124013

SMILES:
C1(C)=CC(c2c(O)cc(CCC(=O)O)cc2OC)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.88

InChIKey:
JXUFYCBJCOXPAJ-UHFFFAOYSA-N

ID: 124014

SMILES:
c1(O)cc(CCC)cc2c1C1C(C(C)(C)O2)CC(c2ccccc2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -16.527

InChIKey:
WFYUVTWZRBTNRX-UHFFFAOYSA-N

ID: 124015

SMILES:
C1C(C)=CC(c2c(O)cc(CC)c(CC=C(C)C)c2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.175

InChIKey:
GEIMKVTYLCOPJR-UHFFFAOYSA-N

ID: 124016

SMILES:
c1(O)cc(CC)cc(O)c1CC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.374

InChIKey:
FYEVCSFOWVVFOK-UHFFFAOYSA-N

ID: 124017

SMILES:
C1(=C)CCC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.648

InChIKey:
OZEZAIOWVDTRGI-UHFFFAOYSA-N

ID: 124018

SMILES:
C(CC=C(C)C)C1(C)C2(C)C3C(C(c4ccccc4)c4c(O)c(C)c(O)c(C5C(C(=C)C)CCC(C)=C5)c4O3)C(=O)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 566.782

CB1 binding score: -13.414

InChIKey:
VRVAVDHLVQRKPS-UHFFFAOYSA-N

ID: 124019

SMILES:
C(O)(C)(C1CCC(C)=CC1c1c(O)cc(CCCC(O)C(CC)O)cc1O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.536

CB1 binding score: -14.08

InChIKey:
ORCRBQSKWJTIMG-UHFFFAOYSA-N

ID: 124020

SMILES:
c1(CCCCC)cc2c(c(O)c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.028

InChIKey:
BNDLCGBREIIGHD-UHFFFAOYSA-N

ID: 124021

SMILES:
Oc1cc(CCC)cc2c1C1C(C(C)(C)O2)C(C=C(C)C)OC(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -14.578

InChIKey:
DHAYRAQMVCGSJG-UHFFFAOYSA-N

ID: 124022

SMILES:
O=C1CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CCC1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.165

InChIKey:
DXRLUMOANWAHBS-UHFFFAOYSA-N

ID: 124023

SMILES:
O=C1OC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -16.206

InChIKey:
OGARLAMUBNGDPI-UHFFFAOYSA-N

ID: 124024

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -12.769

InChIKey:
BMRIVYGBCYGURQ-UHFFFAOYSA-N

ID: 124025

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1CC(C)=CC(=O)C1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.456

InChIKey:
VDCMSGGRTMNRSD-UHFFFAOYSA-N

ID: 124026

SMILES:
CC(C)=CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -19.67

InChIKey:
QXOBJECFIJLBPW-UHFFFAOYSA-N

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124006–124026 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