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Molecule Identifiers
Molecular Properties

ID: 58906

SMILES:
C(CC(=O)c1c(O)cc(O)c2c1OC(C)(C)C1C2C=C(C)CC1)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.385

InChIKey:
KCKFCLWTUCSIQS-UHFFFAOYSA-N

ID: 58907

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C(=O)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.892

InChIKey:
WBFVHFCVGUDTNV-UHFFFAOYSA-N

ID: 58908

SMILES:
CC1(C)Oc2cc(CCc3ccc(O)cc3)cc(O)c2CC1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.501

CB1 binding score: -15.22

InChIKey:
HEAWCMXEIHZWAZ-UHFFFAOYSA-N

ID: 58909

SMILES:
C1(C)=CC2c3c(O)cc(C)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 58910

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1=C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -20.728

InChIKey:
RECLSNODOVFMMU-UHFFFAOYSA-N

ID: 58911

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C(O)C(C)(O2)CC(O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.374

CB1 binding score: -12.891

InChIKey:
FBSUKVINFMWFCT-UHFFFAOYSA-N

ID: 58912

SMILES:
C(OC1C(C)=CC2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C)(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.655

InChIKey:
FLZRTUNLVBLEKZ-UHFFFAOYSA-N

ID: 58913

SMILES:
C1(CCC=C(CCC=C(C)CO)C)(C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -18.228

InChIKey:
SAWNNGMERXUILP-UHFFFAOYSA-N

ID: 58914

SMILES:
C1C(C)(O)CC2c3c(O)cc(C)cc3OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -14.821

InChIKey:
DMWDAECZCDSNBD-UHFFFAOYSA-N

ID: 58915

SMILES:
CCCc1c(O)c2c(c(OC)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.522

InChIKey:
FTOFRPPCUBAYBP-UHFFFAOYSA-N

ID: 58916

SMILES:
C(=Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C=O)CC1)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -16.329

InChIKey:
ADXIKIWMDMSOKF-UHFFFAOYSA-N

ID: 58917

SMILES:
CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.585

InChIKey:
DNTBFILTGOCICF-UHFFFAOYSA-N

ID: 58918

SMILES:
CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(COC(C)=O)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.818

InChIKey:
MHFAZVZPSPZIKH-UHFFFAOYSA-N

ID: 58919

SMILES:
O(c1c(O)c2c(cc1)OC(C)(C)C1C2C(O)C(C)CC1)C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.385

CB1 binding score: -15.263

InChIKey:
KFZBWMVGORWRII-UHFFFAOYSA-N

ID: 58920

SMILES:
C1(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 58921

SMILES:
c12c(cc(CCCCC)cc1O)OC(CCC=C(C)CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -19.944

InChIKey:
PXPDKUHGJIMKBA-UHFFFAOYSA-N

ID: 58922

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1(O)C2C(O)C(C)(O)CC1)CC(=O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.41

CB1 binding score: -12.97

InChIKey:
SFSKZNFIAKLLEL-UHFFFAOYSA-N

ID: 58923

SMILES:
Oc1c(C(CC(C)C)=O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.385

InChIKey:
KCKFCLWTUCSIQS-UHFFFAOYSA-N

ID: 58924

SMILES:
C(C1(C)C2Oc3c(c(O)cc(CCCC)c3)C1CC2=O)CC(CCCC(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -15.374

InChIKey:
YAMQUSLEBGVJJN-UHFFFAOYSA-N

ID: 58925

SMILES:
C(CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C)C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.302

InChIKey:
CDBVRIFLMHPIRB-UHFFFAOYSA-N

ID: 58926

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

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58906–58926 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