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Molecule Identifiers
Molecular Properties

ID: 70141

SMILES:
c1(O)c2c(cc(C(C(CC)C)OC(C)=O)c1OC)OC(C)(C)C(=O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.411

CB1 binding score: -13.151

InChIKey:
LIIOKMHJSVHVHZ-UHFFFAOYSA-N

ID: 70142

SMILES:
OCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.431

InChIKey:
MPYZLGRISYKSDV-UHFFFAOYSA-N

ID: 70143

SMILES:
C(Cc1cc2c(c(O)c1)CC(C)(C)C1C2(C)CCC1C(C)C)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.54

CB1 binding score: -14.927

InChIKey:
UQNLOQBZTUWSOK-UHFFFAOYSA-N

ID: 70144

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -13.849

InChIKey:
CSLZDRYHWKWENX-UHFFFAOYSA-N

ID: 70145

SMILES:
C12C(C)(C)Oc3c(c(O)ccc3)C1C=C(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.281

InChIKey:
KZTIITBECKQIPO-UHFFFAOYSA-N

ID: 70146

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.838

InChIKey:
IAVLEAYBADJFTN-UHFFFAOYSA-N

ID: 70147

SMILES:
c1(O)c(-c2c(C)cc(O)c(C(C)CCC=C(C)C)c2O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.656

CB1 binding score: -15.289

InChIKey:
UDBFRFMXIRKBBS-UHFFFAOYSA-N

ID: 70148

SMILES:
C=C(C)C12Oc3c(c(CCCCC)cc(OC)c3O)C1CC(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -12.389

InChIKey:
QSWUUEYUQZOQTJ-UHFFFAOYSA-N

ID: 70149

SMILES:
C(C)(C)=CCCC1(C)C2C(C)(Oc3c(c(O)cc(CCCCCC)c3)C2O)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -15.22

InChIKey:
MGCWCKDIDGXMGX-UHFFFAOYSA-N

ID: 70150

SMILES:
CC1C2C3C(c4c(O)cc(C(C)C(C(C)CC)O)cc4OC3O1)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -12.035

InChIKey:
CUPZKYRYLUQHGX-UHFFFAOYSA-N

ID: 70151

SMILES:
OC1C(C)=CC2C(C1)C(C)(C)Oc1c2cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -16.502

InChIKey:
UNFJXZQMMUBFHX-UHFFFAOYSA-N

ID: 70152

SMILES:
c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -20.649

InChIKey:
ZHYPKENABBMAAN-UHFFFAOYSA-N

ID: 70153

SMILES:
OC12C(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.416

InChIKey:
QVEKTDNNGKYJTN-UHFFFAOYSA-N

ID: 70154

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 70155

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.892

InChIKey:
YCSIDAUWCFLSQK-UHFFFAOYSA-N

ID: 70156

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C1C=CC(C)=C2)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -14.926

InChIKey:
MBXIUHDMZRDOSV-UHFFFAOYSA-N

ID: 70157

SMILES:
c1(O)cc(CCCCC)cc(OC)c1OC1C2(C)CCC(C(O)(C)C)C2CCC1(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.617

CB1 binding score: -16.218

InChIKey:
ZWBWHYZLMYHVQE-UHFFFAOYSA-N

ID: 70158

SMILES:
C12C(C1c3c(O)cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)(C2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.593

InChIKey:
FGUPHFYDNYHBBE-UHFFFAOYSA-N

ID: 70159

SMILES:
O=c1cc2c(c(O)c(O)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -14.215

InChIKey:
JCBSCNVQPXVJLJ-UHFFFAOYSA-N

ID: 70160

SMILES:
C1(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 70161

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

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70141–70161 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