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Molecule Identifiers
Molecular Properties

ID: 127156

SMILES:
C(c1cc(O)c(C2C=C(C)C(OC(C(C)=CC)=O)CC2C(=C)C)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -16.989

InChIKey:
NUTYKJGGDBOFPH-UHFFFAOYSA-N

ID: 127157

SMILES:
CC(=O)Oc1cc(C2C(C(C)(O)C)CCC(C)=C2)c(O)cc1C(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -13.46

InChIKey:
IZDHMJVGPUFWFD-UHFFFAOYSA-N

ID: 127158

SMILES:
C1CC(C(C)(O)C)C(c2c(O)cc(CCC)cc2O)C=C(C)CCC=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -16.586

InChIKey:
XRBZITYIJHMTJS-UHFFFAOYSA-N

ID: 127159

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: 127160

SMILES:
CC1(O)CCCC(C)(C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.473

CB1 binding score: -17.354

InChIKey:
UNLFZSQAOQBPOQ-UHFFFAOYSA-N

ID: 127161

SMILES:
C1C(C(=C)C)CC2C(C)(C1O)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.502

InChIKey:
UJMFGOKFJDCODB-UHFFFAOYSA-N

ID: 127162

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(C(C)=C)CCC(C)=C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.644

InChIKey:
IEERHDNDIMSELQ-UHFFFAOYSA-N

ID: 127163

SMILES:
C(c1cc2c(cc1)OC(C(C)(C)O)C2)CCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -17.951

InChIKey:
QBJJHVAFGNJSIZ-UHFFFAOYSA-N

ID: 127164

SMILES:
C1C2OC2(C)CC(C(C)=C)C1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.522

InChIKey:
BQWRCHSJASSPHP-UHFFFAOYSA-N

ID: 127165

SMILES:
c1(O)c2c(cc(C)c1CCCCC)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.856

InChIKey:
VNACZUSHQSXMKX-UHFFFAOYSA-N

ID: 127166

SMILES:
O1c2c(c(O)cc(CCCC)c2)C2CC(C(C)=C)CCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.502

InChIKey:
RPOWHHWWHKGINO-UHFFFAOYSA-N

ID: 127167

SMILES:
C1C2C3(CC(C)C1)Cc1c(O)cc(C)cc1OC3(C(C)=C)CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -14.826

InChIKey:
FXYRZXRBHZWIOU-UHFFFAOYSA-N

ID: 127168

SMILES:
c1(C(C)C)c(C2C(C(C)=C)CCC(C)=C2)ccc(CCC)n1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 297.486

CB1 binding score: -12.859

InChIKey:
KUYXLTBDIJXDHJ-UHFFFAOYSA-N

ID: 127169

SMILES:
CC1Oc2c(CCCCC)cc(O)c3c2C1(O)CC(C)(C)C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -15.358

InChIKey:
MZGRESDPGKTIPI-UHFFFAOYSA-N

ID: 127170

SMILES:
C1(C)CCC(C(=C)C)C(c2c(O)c(CCCC)cc(O)c2C=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -11.82

InChIKey:
JYMLATSAAKFUPF-UHFFFAOYSA-N

ID: 127171

SMILES:
c1(O)c(CN)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 289.375

CB1 binding score: -15.065

InChIKey:
JRNWGXJFTQOUSE-UHFFFAOYSA-N

ID: 127172

SMILES:
C1C(C)CCC2C1(O)c1c(O)cc(C)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.643

InChIKey:
CEJUAEUDLOUWGU-UHFFFAOYSA-N

ID: 127173

SMILES:
CC(C1=CC2(OCC(C)=CC2c2cc(CCCCC)cc(O)c2)C=C1)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.637

CB1 binding score: -14.068

InChIKey:
DKIYBUQRJJKWHK-UHFFFAOYSA-N

ID: 127174

SMILES:
c1c(O)c2c(cc1CCCCC)OC(C)(C)C1=C2C(=O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.882

InChIKey:
UEFGHYCIOXYTOG-UHFFFAOYSA-N

ID: 127175

SMILES:
c12c(O)cc(CCCCC)cc1OC(CCC=C(C)C)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.791

InChIKey:
ORKZJYDOERTGKY-UHFFFAOYSA-N

ID: 127176

SMILES:
C1C2(C)C(O)(c3c(O)cc(CCCCC)cc3OC2(C)C)C(O)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -12.358

InChIKey:
HNNGOZLIRCORNK-UHFFFAOYSA-N

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127156–127176 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