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Molecule Identifiers
Molecular Properties

ID: 76294

SMILES:
C1(O)C(O)C2(C)CC1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -12.244

InChIKey:
ARJIAXIRBYFCKK-UHFFFAOYSA-N

ID: 76295

SMILES:
c1(O)c(C(C(C)C)=O)c(O)c2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -17.575

InChIKey:
RHRYLWAFKSVENB-UHFFFAOYSA-N

ID: 76296

SMILES:
Oc1c(CCCCC)cc2c(c1O)C1=C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.615

InChIKey:
KNWIFGKEFSTDBU-UHFFFAOYSA-N

ID: 76297

SMILES:
C1(C)CCCC2(COC(=O)C)C3C(c4c(O)cc(CCC)cc4OC3(CO)C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -16.679

InChIKey:
JTOKLGWZUQQIOJ-UHFFFAOYSA-N

ID: 76298

SMILES:
C1C2(C)Oc3c(c(OC)cc(CCCCC)c3)C3C2(C(C=C(C)C)C1)C(C)CC3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -13.437

InChIKey:
WACPTTPPLSTBKX-UHFFFAOYSA-N

ID: 76299

SMILES:
C1(Cc2c(O)cc(CCCCC)cc2O)CC(O)(C)CCC1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.527

CB1 binding score: -13.249

InChIKey:
MWADXXFMTDUCMH-UHFFFAOYSA-N

ID: 76300

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 76301

SMILES:
C1(C)=CCC2CC1c1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -16.426

InChIKey:
LLLYLIGAYZFCAQ-UHFFFAOYSA-N

ID: 76302

SMILES:
CC1(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: 76303

SMILES:
c1(C=O)c(CCCCC)cc(OC)c(C2C(C(C)=C)CCC(C)C2)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.588

InChIKey:
CBRPIVRMDJIGEX-UHFFFAOYSA-N

ID: 76304

SMILES:
C1(C)C2C(c3c(cc(CCCCC)cc3OC)OC2(C)C)C(C(=C)C)CCC2(C)OC2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.668

CB1 binding score: -11.68

InChIKey:
FULIDRCKGLVRRM-UHFFFAOYSA-N

ID: 76305

SMILES:
C1(=O)C(=Cc2c(O)c(C3C(C(=C)C)CCC(C)=C3)c(O)c(C(=O)CCC)c2O)C=C(CC=C(C)C)C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 518.694

CB1 binding score: -18.306

InChIKey:
MRLBFDIMSLZGAK-UHFFFAOYSA-N

ID: 76306

SMILES:
C1(=O)c2c(C=O)c(O)c(C3CC3)c(CCCCC)c2OC(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -14.648

InChIKey:
QGOUXEGKIDKRFR-UHFFFAOYSA-N

ID: 76307

SMILES:
c1c2c(c(O)cc1CCCCC)OC(C)(C)C1C2C=C(C(O)COC(=O)CCC)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -15.184

InChIKey:
PNKPCULZLKGBDM-UHFFFAOYSA-N

ID: 76308

SMILES:
C12C(c3c(cc(CCCCC)cc3O)OC1(CCC=C(C)C)C)C(OO)C(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -15.519

InChIKey:
RXJASPHZOBHJHT-UHFFFAOYSA-N

ID: 76309

SMILES:
C1(CO)=CC2C(CC1O)C(C)(C)Oc1cc(O)cc(C)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -15.929

InChIKey:
FSAQOHHVKRANSN-UHFFFAOYSA-N

ID: 76310

SMILES:
C(c1c(O)cc(C(=O)O)c2c1OC(C)(CCC=C(C)C)C=C2)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.239

InChIKey:
GHXNRQGNQRCHJS-UHFFFAOYSA-N

ID: 76311

SMILES:
C1(C)CC(=O)OC1CC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.476

CB1 binding score: -14.774

InChIKey:
RLFFRXNXFNERHL-UHFFFAOYSA-N

ID: 76312

SMILES:
C1(O)(C)CCC(C(=C)C)C1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.434

InChIKey:
FEVGKCBDEAPQNI-UHFFFAOYSA-N

ID: 76313

SMILES:
C(CC(=O)OCc1cc(CCCCC)ccc1-c1cc(C)cc(O)c1)CC1C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -15.405

InChIKey:
BWOMAPNWIDIIKL-UHFFFAOYSA-N

ID: 76314

SMILES:
C1(=C)C2C(O)(c3c(O)cc(CCCCC)cc3O2)C(=O)C(C)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -16.337

InChIKey:
ALDMTAKHOZKNJE-UHFFFAOYSA-N

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76294–76314 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