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Molecule Identifiers
Molecular Properties

ID: 69826

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.138

InChIKey:
ZVZSXQKSMNLVNR-UHFFFAOYSA-N

ID: 69827

SMILES:
c12c(cc(O)c(CC=C(C)CCC=C(C)C)c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -15.155

InChIKey:
OGJQPPFNLWSYGK-UHFFFAOYSA-N

ID: 69828

SMILES:
c12c(cc(CCCCC)cc1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.423

InChIKey:
MRLLOLSGDYQJHB-UHFFFAOYSA-N

ID: 69829

SMILES:
O=C(OC1C(C(C)C)CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -17

InChIKey:
FHJVJJUXERNPKU-UHFFFAOYSA-N

ID: 69830

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.15

InChIKey:
FXRYFSBEEDYORZ-UHFFFAOYSA-N

ID: 69831

SMILES:
OCC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 69832

SMILES:
C12C(C)(Oc3c(c(OC)cc(CCCCCCC)c3)C1=O)CCC(C(C)(C)O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -17.073

InChIKey:
LGOGIEZSBFOIAQ-UHFFFAOYSA-N

ID: 69833

SMILES:
C(CCc1c2cc(O)cc(COC)c2ccc1C1C=C(C)CCC1C(=C)C)C1=C(C)CC(C)(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.74

CB1 binding score: -13.03

InChIKey:
FSJYOYYJLRXTGM-UHFFFAOYSA-N

ID: 69834

SMILES:
CC(C)=CC1(O)CC(C)=CC1c1c(O)c(C(=O)O)c(CCCCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -14.605

InChIKey:
XHUUEZSSXGGHOP-UHFFFAOYSA-N

ID: 69835

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.676

InChIKey:
JVHVCRBZNXAQOX-UHFFFAOYSA-N

ID: 69836

SMILES:
Oc1cc(CCCCC)c(O)cc1C1(C)CCC(C)=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -13.392

InChIKey:
GUVVAVSQBFUYKO-UHFFFAOYSA-N

ID: 69837

SMILES:
C(C(C(C)C=C(C)C)C)C1(C)C23Oc4c(c(O)cc(CCCCC)c4)C2CCC(C)=C3CC(C)(O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 508.787

CB1 binding score: -14.56

InChIKey:
DLSHQIYFQHRKAC-UHFFFAOYSA-N

ID: 69838

SMILES:
Oc1cc(C=CCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -16.744

InChIKey:
NMGCFMHUOZKCQR-UHFFFAOYSA-N

ID: 69839

SMILES:
c1(OC)cc(CCc2ccc(OC)c(OC)c2)cc2c1C1C=C(C(=O)O)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.547

CB1 binding score: -12.678

InChIKey:
SELIMXQLPRXPFP-UHFFFAOYSA-N

ID: 69840

SMILES:
CC(Oc1c(O)c2c(cc1C)OC(CCC(C(C)C)=C)(C)C=C2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -12.784

InChIKey:
ARYKCAGIOSKCMG-UHFFFAOYSA-N

ID: 69841

SMILES:
C(Oc1ccc(C=Cc2cc3c(c(O)c2)C2C(C(C)(C)O3)CCC(C)C2)cc1CCCCCC)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 502.739

CB1 binding score: -15.332

InChIKey:
QOKCTQJWNBCMAP-UHFFFAOYSA-N

ID: 69842

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 69843

SMILES:
C(C(=O)OCC1(C)C(C)CCC1C(C)=C)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -15.178

InChIKey:
LIBVXCJNUGTANK-UHFFFAOYSA-N

ID: 69844

SMILES:
O=c1ccc2cc(OCC3C(C)(C)Oc4cc(C)cc(O)c4C3)c(O)c2c1CCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.548

CB1 binding score: -13.119

InChIKey:
BVHVDOVUSPNIBP-UHFFFAOYSA-N

ID: 69845

SMILES:
C(C)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.987

InChIKey:
QYNCMPYNYFYQFE-UHFFFAOYSA-N

ID: 69846

SMILES:
Cc1c(Cl)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.806

CB1 binding score: -17.089

InChIKey:
FTQZZLWTLIYGRW-UHFFFAOYSA-N

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69826–69846 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