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Molecule Identifiers
Molecular Properties

ID: 101263

SMILES:
Oc1cc(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: 101264

SMILES:
c1(OC)c(OC)c(O)c(C)c2c1OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -14.536

InChIKey:
UDZHTQBXTOHIQV-UHFFFAOYSA-N

ID: 101265

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1C(O)CC(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.887

InChIKey:
AYYMIHVTSWMAGT-UHFFFAOYSA-N

ID: 101266

SMILES:
c1(O)cc(CCCCCC)cc2c1C1C=C(COC(=O)CCCCC)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -14.859

InChIKey:
TYGQBZCPZHEXOS-UHFFFAOYSA-N

ID: 101267

SMILES:
CC1(C=O)C2CCC(C)=CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.929

InChIKey:
KCQMALPDKBTTKJ-UHFFFAOYSA-N

ID: 101268

SMILES:
O=C(c1c(OC)cc(C2C(C(=C)C)CCC(C)=C2)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.015

InChIKey:
HKXCHTAOFLNIHU-UHFFFAOYSA-N

ID: 101269

SMILES:
CC1(C)C2CC=C(C)CC2c2c(OC)cc3c(c21)OC(C)(CCC=C(C)C)C=C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.583

CB1 binding score: -15.543

InChIKey:
WGFOYULPDWQBOP-UHFFFAOYSA-N

ID: 101270

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(COC(CCCCCCCCCCCCC)=O)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 540.829

CB1 binding score: -14.287

InChIKey:
AUSPOGWZIMPQHW-UHFFFAOYSA-N

ID: 101271

SMILES:
c1cc2c(c(C)c1)Oc1cc(CCCCC)cc(O)c1C1C(C(=C)C)C(O)C=C(C)C1CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.685

CB1 binding score: -14.355

InChIKey:
UGHSPDNWYWYYLM-UHFFFAOYSA-N

ID: 101272

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -15.064

InChIKey:
PIFPWFYPVFLUNN-UHFFFAOYSA-N

ID: 101273

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 101274

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.527

InChIKey:
NLIHSLOJWDUFAS-UHFFFAOYSA-N

ID: 101275

SMILES:
C1(CCC=C(C)CO)(C)Oc2c(cc(O)cc2CCCCC)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.929

InChIKey:
NNEJDVWPDAKTRD-UHFFFAOYSA-N

ID: 101276

SMILES:
c12cc(CCC(CC)O)c(C)cc1C=CC(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -15.647

InChIKey:
XKFXPABRCJFKIQ-UHFFFAOYSA-N

ID: 101277

SMILES:
CC(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 101278

SMILES:
C12=CCC3(C)C(=C(CO)C=CC3OC(C)=O)C1CC(C(C)=C)C1(C)Oc3cc(C)cc(O)c3C21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.586

CB1 binding score: -13.728

InChIKey:
ZMUHBGCDVYUHAJ-UHFFFAOYSA-N

ID: 101279

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 101280

SMILES:
C(O)C1C(C)=CCC(C(C)C)C1c1c(O)cc(CCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.283

InChIKey:
VRNUVJOSOKKYQE-UHFFFAOYSA-N

ID: 101281

SMILES:
c1(OC(=O)C)c(OC(C)=O)cc(C2C(C(C)=C)CCC3(C)OC(CCC(O)(C)C)(C(C)C2=O)C3(C)C)cc1C(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 570.723

CB1 binding score: -13.833

InChIKey:
NVQZXSDDAKKITL-UHFFFAOYSA-N

ID: 101282

SMILES:
C1C2CC(C(=C)C)C(O)CC2(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.401

InChIKey:
FPXZWLHYCOJRBJ-UHFFFAOYSA-N

ID: 101283

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1CC(C(=C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
KKGGNLGHOSMNOH-UHFFFAOYSA-N

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101263–101283 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