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Molecule Identifiers
Molecular Properties

ID: 138307

SMILES:
CC1=CC(=C)C(C(C)=C)C(CC(C)=CCCC(=O)c2c(O)c(O)cc(C)c2)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.528

CB1 binding score: -11.489

InChIKey:
LVQCIPGOCSEXJW-UHFFFAOYSA-N

ID: 138308

SMILES:
C12c3c(c(O)cc(CCCCC)c3)C(C)(C)C1C(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.459

CB1 binding score: -14.944

InChIKey:
PVDZQHWLZSNRCV-UHFFFAOYSA-N

ID: 138309

SMILES:
C1=CC2(CC=C(C)C)Oc3c(c(O)cc(CCCCC)c3)C(C23C(C(OC)=O)C(C)(C)C(=O)C3C)C1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.683

CB1 binding score: -12.27

InChIKey:
YPMYFKAYJDIRAB-UHFFFAOYSA-N

ID: 138310

SMILES:
C=C1CCC(C(=C)COC(C)=O)C(c2c(O)cc(CCCCC)cc2OC)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -16.015

InChIKey:
JFNBSQXKFXXOAL-UHFFFAOYSA-N

ID: 138311

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCCOC(=O)CCC)c2)CC1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -12.882

InChIKey:
HPJXSUYYEPFMJX-UHFFFAOYSA-N

ID: 138312

SMILES:
CC(c1ccc(C)c2c1C1C(C(C)(C)Oc3cc(CCC)cc(O)c31)C=C2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.54

CB1 binding score: -12.001

InChIKey:
PTULAMYKRTZDNR-UHFFFAOYSA-N

ID: 138313

SMILES:
Oc1c(C(=O)O)c(CCCCC)cc2c1C1(O)C(CCC(C)C1O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.492

CB1 binding score: -12.66

InChIKey:
IGBKVRBAQXYMKD-UHFFFAOYSA-N

ID: 138314

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -17.871

InChIKey:
PMKQIKHAUZMPPI-UHFFFAOYSA-N

ID: 138315

SMILES:
C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 138316

SMILES:
c1c(O)c(C2(C(C)C)CCC(C)=CC2)c(O)cc1CO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.588

InChIKey:
FCNVZCQKRGUSAR-UHFFFAOYSA-N

ID: 138317

SMILES:
CC(C)(C1CC(=O)C2=CC(CC2(C)C)c2c(cc(CCCCC)cc2O)O1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -17.54

InChIKey:
PHRLQUPEXLYWLU-UHFFFAOYSA-N

ID: 138318

SMILES:
C(C)(=CC1C(c2c(O)cc(CCCCC)cc2OC)OC1(C)C=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.092

InChIKey:
LPPKFIQVQQXVHM-UHFFFAOYSA-N

ID: 138319

SMILES:
C(O)(C(C)=C)Cc1cc(C2C(C(C)=C)CCC(C)=C2)c(O)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.605

InChIKey:
LHRZVQHJCBMGSO-UHFFFAOYSA-N

ID: 138320

SMILES:
O(c1c(C2C(C(=C)C)CCC(C)=CC2)c(CCC)cc(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.736

InChIKey:
MVMVWKVTXIQHAW-UHFFFAOYSA-N

ID: 138321

SMILES:
C(C(C)=CCc1c(OC)c(C)cc(O)c1)C1C(C(C)=C)CCC1(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.558

InChIKey:
GOUSIHYEXLHULX-UHFFFAOYSA-N

ID: 138322

SMILES:
C(CC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.509

InChIKey:
XAJXLANJASZEBB-UHFFFAOYSA-N

ID: 138323

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(CO)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 236.311

CB1 binding score: -15.692

InChIKey:
OYGXBAHZTGXONZ-UHFFFAOYSA-N

ID: 138324

SMILES:
C12(C)Oc3cc(C)cc(O)c3C1CC(C)=CC2C(=O)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -14.826

InChIKey:
MNKXOHKVFAHGCR-UHFFFAOYSA-N

ID: 138325

SMILES:
C1(=O)c2cc(CCCCC)cc(O)c2C(C=C(C)C)C(O)=C1CO

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.034

InChIKey:
WNHOKBZFZMZVDI-UHFFFAOYSA-N

ID: 138326

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.215

InChIKey:
JAEAERWWIUMZKV-UHFFFAOYSA-N

ID: 138327

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(OC)c1)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.99

InChIKey:
FUALTVNNMUISLE-UHFFFAOYSA-N

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138307–138327 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