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Molecule Identifiers
Molecular Properties

ID: 56134

SMILES:
C1=C(C)CC2C(C)(C)Oc3ccc(O)cc3C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.16

InChIKey:
NJBLJDVPFXUYKQ-UHFFFAOYSA-N

ID: 56135

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -18.334

InChIKey:
BKUUXHSLBMOYBZ-UHFFFAOYSA-N

ID: 56136

SMILES:
c1(C(CCCC)C)cc(O)c2c(c1)OC(C)(C)C1CC2C(O)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -14.231

InChIKey:
ATKUIDPFJZWILI-UHFFFAOYSA-N

ID: 56137

SMILES:
C(CCCCC(C)(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C)(O)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -15.659

InChIKey:
IKWOWCNLZSWUHF-UHFFFAOYSA-N

ID: 56138

SMILES:
O1c2c(cc(CCCCC)cc2O)OC12CCC(C(=C)C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: Not available

InChIKey:
RSJWIAYDTITSDW-UHFFFAOYSA-N

ID: 56139

SMILES:
CC(=CCc1c(O)cc(CC=C(CCC=C(C)C)C)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.051

InChIKey:
TXLIVWXFPYVBTA-UHFFFAOYSA-N

ID: 56140

SMILES:
O=Cc1c(O)cc(C(C)C)c2c1c3c(cc2)-c1c(O)cc(CCCCC)cc1OC3(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.56

CB1 binding score: -17.837

InChIKey:
LXRBVEIOZJDSBB-UHFFFAOYSA-N

ID: 56141

SMILES:
C(Cc1cc(C2C=C(C)CCC2C(=C)C)c(O)c(CC=C(C)C)c1O)(CCCC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -10.958

InChIKey:
RXHCFHMKELPUNS-UHFFFAOYSA-N

ID: 56142

SMILES:
C1(C(C)C)C(c2cc(CCCCC)ccc2)C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 284.487

CB1 binding score: -16.438

InChIKey:
FZKDNZVILILJLN-UHFFFAOYSA-N

ID: 56143

SMILES:
CC1(C)C2Oc3cc(OC)cc(CCCCC)c3C1CC(=C)CCC=C(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -14.554

InChIKey:
KMBAHRWKRHFTBL-UHFFFAOYSA-N

ID: 56144

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)c(O)c(O)c3C2CCC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -14.041

InChIKey:
QGOMENUHPMPCFK-UHFFFAOYSA-N

ID: 56145

SMILES:
C1C2(c3c(O)cc(CCCCC)cc3O1)CC1C(O)(C)CCC2C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.929

InChIKey:
AARWEFQXHXQORC-UHFFFAOYSA-N

ID: 56146

SMILES:
C1(=C(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.089

InChIKey:
MXHIJQHAYHJSTF-UHFFFAOYSA-N

ID: 56147

SMILES:
c1(CC=C(C)CCC=C(C)C)cc(CCc2cc(CC=C(C)CCC=C(C)C)c(O)cc2)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.74

CB1 binding score: -15.929

InChIKey:
KZDZRTDECAUBTK-UHFFFAOYSA-N

ID: 56148

SMILES:
C12C3(c4c(cc(CCCCC)cc4O)OC1(C)CCC1C(C)(C)C21)CCC1=CC(=O)CC(C(O)(C)C)C31

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.727

CB1 binding score: Not available

InChIKey:
TXSCULNXMNYIFQ-UHFFFAOYSA-N

ID: 56149

SMILES:
c12cc(CCCCC)cc(OC)c1OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -16.86

InChIKey:
WUNGSWCTAIHMFF-UHFFFAOYSA-N

ID: 56150

SMILES:
C1C(C)(CCC=C(C)C)Oc2c(c(O)c(C(=O)O)c(CCCCC)c2)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -15.183

InChIKey:
RBYHMOSCIJGIOD-UHFFFAOYSA-N

ID: 56151

SMILES:
C12C(c3c(cc(CCCCC)cc3O)O1)CC(C)(C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -17.792

InChIKey:
NEKDHXZHRHNMRC-UHFFFAOYSA-N

ID: 56152

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 56153

SMILES:
Oc1cc(CCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 56154

SMILES:
CC1(C)Oc2cc(C)cc(O)c2C2C1CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -18.57

InChIKey:
JWVNDMUNWMFDDK-UHFFFAOYSA-N

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56134–56154 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