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Molecule Identifiers
Molecular Properties

ID: 141814

SMILES:
c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(=C)C=C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.454

CB1 binding score: -15.543

InChIKey:
GXSUBRZZCSIXHN-UHFFFAOYSA-N

ID: 141815

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(CO)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 141816

SMILES:
C(C=C(CC(C=C(C)CCC=C(C)C)Oc1cc(CCCCC)cc(O)c1)C)c1cc(O)c(CC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 560.819

CB1 binding score: -12.23

InChIKey:
CEZVHJORACXGPA-UHFFFAOYSA-N

ID: 141817

SMILES:
CC(=O)c1cc2c3c(c1OC)OC(C)(C)C1CCC(C)(OC1(C)C)CC23

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -12.276

InChIKey:
SJVQJFRYMWACRD-UHFFFAOYSA-N

ID: 141818

SMILES:
C1(C)C(C)(C)Oc2c3c(c(C(=O)C(C(CC)C)=O)c(O)c21)OC(C)(C)CC3O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.476

CB1 binding score: -15.056

InChIKey:
RLUDKERCMSJOGQ-UHFFFAOYSA-N

ID: 141819

SMILES:
O1COc2c1cc1c(c2OC)C2C=C(CO)CCC2C(C)(C)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -15.372

InChIKey:
JJEWRYAOQYCDSZ-UHFFFAOYSA-N

ID: 141820

SMILES:
CC(=CCCC1(C)Oc2c(C)cc(O)cc2C=C1)CCCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.572

InChIKey:
CJAJTSGNMUIJKT-UHFFFAOYSA-N

ID: 141821

SMILES:
C12CCC3(C)Oc4cc(CCCCC)cc(O)c4C(O1)C23

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.557

InChIKey:
BSRCYAKEVMVWCT-UHFFFAOYSA-N

ID: 141822

SMILES:
c1(O)cc(C)cc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 141823

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1OC(=O)C(C)=C1CCC(C)=CCCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -14.943

InChIKey:
YYZRMCLBRLAWNB-UHFFFAOYSA-N

ID: 141824

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C2C(C)(O)CC(O)C2C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -14.435

InChIKey:
YHAKBBZUOSLBKG-UHFFFAOYSA-N

ID: 141825

SMILES:
C12(C)C3c4c(O)cc(CCCCC)cc4OC(C)(C)C3CCC1(C)C(c1ccco1)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.636

CB1 binding score: -15.969

InChIKey:
XRCOBBQFANHXQI-UHFFFAOYSA-N

ID: 141826

SMILES:
c1cccc(-c2c(C(N(C)C)CC3=CC4C(C(C)=C)CCC(C)C4CC3)cc(O)c(NC(N)=O)c2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 487.688

CB1 binding score: -16.591

InChIKey:
PPCVUSMQDGYCRC-UHFFFAOYSA-N

ID: 141827

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C(OC)=O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.485

InChIKey:
DSQIFSTZOWZVKR-UHFFFAOYSA-N

ID: 141828

SMILES:
C1(C)=CC(c2c(O)cc(OC)cc2O)C(C(C)=C)CC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.567

InChIKey:
GMSUBLHXFQNUMR-UHFFFAOYSA-N

ID: 141829

SMILES:
C(=C(C)C(c1cc(O)cc(CC=C(C)CCC=C(C)C)c1O)=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.494

InChIKey:
UGGNVNHCDHDNGQ-UHFFFAOYSA-N

ID: 141830

SMILES:
CC(C1Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC2C1(O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.18

InChIKey:
DPJYCRAPQUGORV-UHFFFAOYSA-N

ID: 141831

SMILES:
Oc1cc(CCCCC)cc2c1C1(O)C(O2)C(C(=C)CO)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -14.833

InChIKey:
CUIAQUUVKRIQGF-UHFFFAOYSA-N

ID: 141832

SMILES:
Oc1c(CC=C(C=O)CCC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.959

InChIKey:
BNFHWQFPCFKLJB-UHFFFAOYSA-N

ID: 141833

SMILES:
CC(O)(C)C12OC(CCCCCCCCC)=CCC1C(=O)C(Cl)=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.972

CB1 binding score: -14.17

InChIKey:
OGVJYVXWOGOKBL-UHFFFAOYSA-N

ID: 141834

SMILES:
C(C)(=O)c1cc(O)c(O)c2c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -14.022

InChIKey:
LLBRXFNFFXNJAA-UHFFFAOYSA-N

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141814–141834 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