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Molecule Identifiers
Molecular Properties

ID: 80284

SMILES:
CC(=CCCC(=CCc1c(O)cc(CCCCC)c(O)c1O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.433

InChIKey:
PQJHNORQVFURSH-UHFFFAOYSA-N

ID: 80285

SMILES:
CC12CC(C(C)C)CC=C1C(=O)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: Not available

InChIKey:
DBFCPGZRIFTMGA-UHFFFAOYSA-N

ID: 80286

SMILES:
C1(C(=C)C)CCC(C)=CC1c1c(C#N)c(Cl)c(OC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 317.816

CB1 binding score: -12.557

InChIKey:
WRAADLPUFWJDEL-UHFFFAOYSA-N

ID: 80287

SMILES:
C(C(C)CC)(OC(C1C(=C)CCC(O)C(C)(C)C1)=O)c1cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.716

CB1 binding score: -14.981

InChIKey:
PWLZCQMHANILAN-UHFFFAOYSA-N

ID: 80288

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2CCC(C)=CCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.969

InChIKey:
VSGOYIYBDGREID-UHFFFAOYSA-N

ID: 80289

SMILES:
COc1c(O)c(CC=C(C)CCC=C(CCC=C(C)C)C)c(CCc2ccccc2)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.647

CB1 binding score: -15.448

InChIKey:
JZSGCSJVWGXZAE-UHFFFAOYSA-N

ID: 80290

SMILES:
CC(CC(O)c1c2c(c(O)c(O)c1)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: Not available

InChIKey:
SVXAJAQBGKLADL-UHFFFAOYSA-N

ID: 80291

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 80292

SMILES:
O(c1ccc(O)cc1CC=C(C)C)CC1=C(C)C2C(CC1)C(C)(C)Oc1c2c(OC)ccc1C=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.613

CB1 binding score: -15.609

InChIKey:
ASBJSSXEBUWKQI-UHFFFAOYSA-N

ID: 80293

SMILES:
Oc1cc(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -17.351

InChIKey:
SQRVZRBFCFPASS-UHFFFAOYSA-N

ID: 80294

SMILES:
C(C)(C(Cc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -15.975

InChIKey:
CTBIZGTVWKYARF-UHFFFAOYSA-N

ID: 80295

SMILES:
CC(OCC(C)(c1c2c(c(O)c(O)c1O)c1c(cc2O)OC(C)(C)C2CCC(C)=CC12)C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.606

CB1 binding score: -15.017

InChIKey:
FKWQTXQQBUCGRK-UHFFFAOYSA-N

ID: 80296

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -15.323

InChIKey:
QFRPHQDQBHTEBV-UHFFFAOYSA-N

ID: 80297

SMILES:
C(CCC)CCCCc1c(C(=O)O)c(O)c2c(c1O)C1CC(CCC=C(C)C)(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 500.72

CB1 binding score: -17.012

InChIKey:
UAKNYTZANMMAGL-UHFFFAOYSA-N

ID: 80298

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(C(C)C)c(O)c(O)c3C(C1)C2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.144

InChIKey:
MWZOWZFBNVBNEZ-UHFFFAOYSA-N

ID: 80299

SMILES:
c1c(CCCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 80300

SMILES:
C1C(C)=CCCC(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -17.798

InChIKey:
QPXZACFNPMHKHS-UHFFFAOYSA-N

ID: 80301

SMILES:
C(=C)C1C2(C)Oc3c(c(O)cc(CCCC)c3)C2CC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.459

InChIKey:
POQXOIFZJFGMPU-UHFFFAOYSA-N

ID: 80302

SMILES:
C1CC2C(C)(C)Oc3cc(CCC(OC)=O)c(O)c(O)c3C23C(=C1CO)CC(C)=C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.498

CB1 binding score: -15.12

InChIKey:
WWJIISKXPJUHQO-UHFFFAOYSA-N

ID: 80303

SMILES:
CC(=CC1C2(CCCC2)Oc2c(c(O)cc(CCCCCO)c2)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.093

InChIKey:
UZHJXVQKXDZWKQ-UHFFFAOYSA-N

ID: 80304

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C(C=C(C#N)CO)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 315.413

CB1 binding score: -14.348

InChIKey:
SPEBRDRAECONRZ-UHFFFAOYSA-N

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80284–80304 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