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Molecule Identifiers
Molecular Properties

ID: 92275

SMILES:
C(C(=CCCC(C)=CCc1c(O)c(C)cc(O)c1)C)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -16.266

InChIKey:
GONVIFMPPUMSRT-UHFFFAOYSA-N

ID: 92276

SMILES:
C(Cc1c(O)cc(CC(C)O)c(O)c1)=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -18.306

InChIKey:
QJRQZQBJSJPOFD-UHFFFAOYSA-N

ID: 92277

SMILES:
OC(COc1c(CCCCC)cc(O)c2c1OC(C)(C)C1CCC(C)=CC21)C(=O)c1ccc([N+](O)=O)cc1[N+](=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 570.639

CB1 binding score: -14.416

InChIKey:
CAQCLVPDJHNBIR-UHFFFAOYSA-O

ID: 92278

SMILES:
C1CC(C)=C(CCC(C)=CCCC2(C)Oc3c(O)c(C)cc(O)c3CC2C(C)(OC)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.667

CB1 binding score: -15.634

InChIKey:
ONWGVVFQHZMZME-UHFFFAOYSA-N

ID: 92279

SMILES:
C(=CC1Oc2c(c(O)cc(CCCCC)c2)C23OC12C(C)(C)OC(C)C3)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -12.506

InChIKey:
CAIGATYYNSLRJL-UHFFFAOYSA-N

ID: 92280

SMILES:
C1CC(C)C2=C(c3c(O)cc(CCCCC)cc3O1)C(=C(C)C)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cannabinoids;Guaiane sesquiterpenoids

MW: 368.561

CB1 binding score: -14.647

InChIKey:
JFHNSCKLWJUYMS-UHFFFAOYSA-N

ID: 92281

SMILES:
C1C(C(C)=CCCC(C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -14.023

InChIKey:
PYBAZGIAUIKZGT-UHFFFAOYSA-N

ID: 92282

SMILES:
C(C)CCc1ccc(O)c(C2CC(C)=CC(c3cc(OC)cc(CCO)c3)C2C(=O)OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.591

CB1 binding score: -13.241

InChIKey:
GFQYYCCSQJSTPP-UHFFFAOYSA-N

ID: 92283

SMILES:
CC1=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -18.046

InChIKey:
MXECOWWPQRFPTG-UHFFFAOYSA-N

ID: 92284

SMILES:
C12(c3c(cc(CCCCC)cc3O)OC1C=C(C)C)OCC(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.71

InChIKey:
GEBANMWVOMYCNQ-UHFFFAOYSA-N

ID: 92285

SMILES:
CC1(CCC=C(C)C)Oc2c(c(O)cc(CCCCCC)c2)C(O)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.929

InChIKey:
WCCXCZJRWJMEJJ-UHFFFAOYSA-N

ID: 92286

SMILES:
C1C2C(O)C(C)=CCC2C(C)(C)Oc2cc(CCc3ccccc3O)cc(O)c21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.511

CB1 binding score: -14.517

InChIKey:
BSJIAAQHTCNMGS-UHFFFAOYSA-N

ID: 92287

SMILES:
CC1(C)C2C3C1c1c(O)cc(CCCCC)cc1OC3(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.162

InChIKey:
IGHTZQUIFGUJTG-UHFFFAOYSA-N

ID: 92288

SMILES:
c1c(CCCC(CCCCOC)C)cc(O)c(C2C(C(=C)C)CCC(C)=C2)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -14.381

InChIKey:
HZURUAQGLHYNNG-UHFFFAOYSA-N

ID: 92289

SMILES:
c1(O)cc(CC)cc2c1CC1(C(=C)CCCC1(C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.058

InChIKey:
JGMXALALGONNFR-UHFFFAOYSA-N

ID: 92290

SMILES:
C(c1cc2c3c(c1)OC(C)(C)C3CC=C(C)C2C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -16.302

InChIKey:
ZQZHEJNMVGPWIT-UHFFFAOYSA-N

ID: 92291

SMILES:
C(CCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)cc1)C=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.643

CB1 binding score: -16.015

InChIKey:
YMFOVNBPQOLCRP-UHFFFAOYSA-N

ID: 92292

SMILES:
CC(C)=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 92293

SMILES:
C12(O)C(C)(C)CCCC1(C)Oc1c(c(O)cc(CCCCC)c1)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -18.969

InChIKey:
FHKSCZCRPNIPIZ-UHFFFAOYSA-N

ID: 92294

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

Pathway: Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 288.431

CB1 binding score: -16.247

InChIKey:
SLBUTTKTUOVXSD-UHFFFAOYSA-N

ID: 92295

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)-c2c1cc(O)c(CC=C(CCC=C(C)C)C)c2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 464.646

CB1 binding score: -15.652

InChIKey:
PYZLMGYEMYCJSG-UHFFFAOYSA-N

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92275–92295 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