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Molecule Identifiers
Molecular Properties

ID: 81922

SMILES:
C(c1c(O)cc2c(c1)C1CC(C)=CCC1C(C)(C)O2)C=C(C)C(=O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -15.293

InChIKey:
QBIOKEKPZDKOBK-UHFFFAOYSA-N

ID: 81923

SMILES:
c1(CCCCC)cc(C(C)=O)c(O)c2c1C=CC(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -12.769

InChIKey:
LVLVSPDEZZHIET-UHFFFAOYSA-N

ID: 81924

SMILES:
O(O)c1c(O)ccc2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -15.733

InChIKey:
QZHSNLHIFRXBEW-UHFFFAOYSA-N

ID: 81925

SMILES:
O1c2cc(C)c(O)cc2C2C(C1(C)C)C(O)C(C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 260.333

CB1 binding score: -16.591

InChIKey:
FKCSBFMXCLYSSY-UHFFFAOYSA-N

ID: 81926

SMILES:
C(CC(O)(C)C)CC(C)=CCc1c(O)c(C(=O)O)c(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 350.455

CB1 binding score: -16.58

InChIKey:
UGNMPGQIUGLXAC-UHFFFAOYSA-N

ID: 81927

SMILES:
C1C(O)(C)CC(c2c(O)cc(CCCCC)cc2OC)C(C(=C)C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.115

InChIKey:
JUJSNADUKVUYIM-UHFFFAOYSA-N

ID: 81928

SMILES:
C(C)OC(c1c(O)c2c(cc1C)OC(C)(C)C1C2CC(C)CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.396

InChIKey:
PBFDKHCHPMPRRD-UHFFFAOYSA-N

ID: 81929

SMILES:
C1(Cc2ccccc2)Oc2c(c(O)cc(CCCCC)c2)C2C(C)(O2)CCC(C(C)(C)O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -15.595

InChIKey:
RZBLSWKODKAJDK-UHFFFAOYSA-N

ID: 81930

SMILES:
C=C(C1CCC(C)C2C1c1c(O)cc(CCCCCO)cc1OC2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.699

InChIKey:
UWQWXNBQUOAQEJ-UHFFFAOYSA-N

ID: 81931

SMILES:
C12(C)Oc3c(c(O)cc(CCC)c3)C(O)(C1C(=O)C=CCC)CCC2C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.519

InChIKey:
NYULBTCKZQZYDV-UHFFFAOYSA-N

ID: 81932

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.854

InChIKey:
LBWGQYMMYXSGPV-UHFFFAOYSA-N

ID: 81933

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 81934

SMILES:
C(C)CCc1cc(O)c(C2C=C(C)CCC2C(CCC=C(C)C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -16.87

InChIKey:
SSSHSMWJUQHNHY-UHFFFAOYSA-N

ID: 81935

SMILES:
CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 81936

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 81937

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(C(C)C)(C2)c2c(cc1)OCO2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -12.66

InChIKey:
ZMGVIZXKMXMKAK-UHFFFAOYSA-N

ID: 81938

SMILES:
C(CCc1cc(O)c2c3c1OC(C)(C)C1C3C(CC=C1C)C(C)(C)O2)C(O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -12.593

InChIKey:
PETRLVHXSZPGAC-UHFFFAOYSA-N

ID: 81939

SMILES:
C(O)(C1CCC2(C1)CC(CC=C(C)C)C(C)=CC(c1c(O)c(C(=O)O)c(CCCCC)cc1O)c2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 498.704

CB1 binding score: -15.252

InChIKey:
GFYACCPXZYDIEF-UHFFFAOYSA-N

ID: 81940

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(O)c(C(=O)O)c(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.342

CB1 binding score: -17.879

InChIKey:
IDQRPVLKXMKYJW-UHFFFAOYSA-N

ID: 81941

SMILES:
C1CC(C)=CC2c3c(cc(CCC)c(C(=O)O)c3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17.521

InChIKey:
IQSYWEWTWDEVNO-UHFFFAOYSA-N

ID: 81942

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)c1c-2cc(CO)cc1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.382

CB1 binding score: -16.164

InChIKey:
QBMCLLVUIQBXNJ-UHFFFAOYSA-N

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81922–81942 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