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Molecule Identifiers
Molecular Properties

ID: 91183

SMILES:
C(CCCc1cc2c(c(O)c1C=O)OC(C)(C)C1CCC(C)=CC21)CC=CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -13.963

InChIKey:
HEHNXHSRKNHSKL-UHFFFAOYSA-N

ID: 91184

SMILES:
Oc1c(CC=C(CCC=C(C)C)C)c(O)c2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.646

CB1 binding score: -16.217

InChIKey:
GCKAYBPEWIVWKX-UHFFFAOYSA-N

ID: 91185

SMILES:
C(C1C=C(C)CC1c1c(O)cc(CC)cc1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.351

CB1 binding score: -15.398

InChIKey:
ANNLZJVBKLCTHA-UHFFFAOYSA-N

ID: 91186

SMILES:
C(OC(C(C(CC)C)=O)C(C)c1c(O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.541

CB1 binding score: -14.605

InChIKey:
UBJYEOLVPRVFMR-UHFFFAOYSA-N

ID: 91187

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1(O)OC(CCC=C(C)C)(C)C=CC1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -14.301

InChIKey:
YVZBNQHUVILLMF-UHFFFAOYSA-N

ID: 91188

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 91189

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C(CCC(C)=CCC2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.657

CB1 binding score: -16.936

InChIKey:
INTSRHFHBJECBK-UHFFFAOYSA-N

ID: 91190

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

ID: 91191

SMILES:
CC1(C(=O)O)C2C(c3c(cc(CCCCC)cc3O)O1)C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.346

InChIKey:
PRAQTWODABRNTJ-UHFFFAOYSA-N

ID: 91192

SMILES:
C1(C)=CCCC(C)=CCOc2c(cc(CCCCC)cc2OC)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.105

InChIKey:
OEINQKBAVBPUMO-UHFFFAOYSA-N

ID: 91193

SMILES:
C1C(C)=C(CCC(=CCc2cc(O)c(C)cc2O)C)C(C)(CC(=O)O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.34

InChIKey:
IAGXYSDGMOPUDE-UHFFFAOYSA-N

ID: 91194

SMILES:
C1C=CC(C)(C)C(CO)C1(CC(C)=CCc1c(O)c(C)cc(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.625

InChIKey:
KLKBPZGQDWZEBQ-UHFFFAOYSA-N

ID: 91195

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.253

InChIKey:
YQZKSASIODXUPT-UHFFFAOYSA-N

ID: 91196

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 91197

SMILES:
Oc1c(Cc2c(O)cc(CCCCC)c3c2OC(C)(C)C2CCC(C)=CC32)cccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.593

CB1 binding score: -15.267

InChIKey:
QSSSIWFLZOYQGV-UHFFFAOYSA-N

ID: 91198

SMILES:
C1(C)(C)C2C(C)(CCC1)Oc1cc(O)cc(CCCCCC)c1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -15.552

InChIKey:
BFCGEBIDDMYSMO-UHFFFAOYSA-N

ID: 91199

SMILES:
C(CCCC)Cc1cc2c(c(O)c1)C1(O)CC(C2)C=CC(CCCCC)C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -12.225

InChIKey:
UJPMWURPSUEZKM-UHFFFAOYSA-N

ID: 91200

SMILES:
C(CCCC)c1cc2c(c(O)c1C=O)OC(C)(C)C1C2C=C(COC(=O)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -15.91

InChIKey:
GBTPZNBQBJAXAS-UHFFFAOYSA-N

ID: 91201

SMILES:
c1(CCCCCC)cc2c(c(O)c1)C1CC3C(C)(CC1O2)CCC3C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -13.429

InChIKey:
SLOXHCXRRLYTAC-UHFFFAOYSA-N

ID: 91202

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 91203

SMILES:
CC12Cc3c(c(C)co3)C(=O)C1C(C)=CCC2Oc1cc(CCCCC)cc(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.565

CB1 binding score: -10.173

InChIKey:
LCSMAILXEQVFLM-UHFFFAOYSA-N

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91183–91203 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