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Molecule Identifiers
Molecular Properties

ID: 93892

SMILES:
O1c2c(C)cc(O)c3c2C2C(C(C)CC3CC1(C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -13.521

InChIKey:
POUPKTHEOFNCRF-UHFFFAOYSA-N

ID: 93893

SMILES:
c1(C)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 93894

SMILES:
C(Cc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(O2)C1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.334

InChIKey:
MNUBYOPTBHHAIM-UHFFFAOYSA-N

ID: 93895

SMILES:
C(CC(=CCc1c(OC)cc(CCCCCO)c(O)c1)C)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.064

InChIKey:
GJCYQJMBGQDUDF-UHFFFAOYSA-N

ID: 93896

SMILES:
C1C(C(O)CC=C(C)C)(C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.502

InChIKey:
UITMNBHBRSUVLB-UHFFFAOYSA-N

ID: 93897

SMILES:
O1C=C(C(OC)=O)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -16.015

InChIKey:
LRJFSRHYYPKKOE-UHFFFAOYSA-N

ID: 93898

SMILES:
C1(C)C(O)C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.071

InChIKey:
WBTZFFOKXNIZAE-UHFFFAOYSA-N

ID: 93899

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -19.691

InChIKey:
ZLYNXDIDWUWASO-UHFFFAOYSA-N

ID: 93900

SMILES:
c1c(CCCC)cc2c(c1O)CC(C(C)(C)O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.338

CB1 binding score: -17.47

InChIKey:
GJTUSTFPHCMTJJ-UHFFFAOYSA-N

ID: 93901

SMILES:
COc1cc(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 93902

SMILES:
c1c(CCCCC)cc(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Aromatic polyketides

Class: Cannabinoids;Catechols with side chains

MW: 300.486

CB1 binding score: -19.441

InChIKey:
VPIIPBDTVZXIEC-UHFFFAOYSA-N

ID: 93903

SMILES:
CC(=CCCC(C)=CC1Oc2c(c(O)cc(CCCCC)c2)C1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.757

InChIKey:
NZCQFSUFSRVGHJ-UHFFFAOYSA-N

ID: 93904

SMILES:
C1(C)=CC2C3(C(C)CC(C(=C)C)O2)Oc2c(c(O)cc(CCCCC)c3)C1CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -15.181

InChIKey:
OUBZIKKIBKJRGA-UHFFFAOYSA-N

ID: 93905

SMILES:
O1C2OC(c3c(O)cc(CCCCC)cc3OC)C(O)C2C1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.428

CB1 binding score: -15.908

InChIKey:
SLEBCMIJSVINCX-UHFFFAOYSA-N

ID: 93906

SMILES:
CC(C)C1C(c2c(O)cc(CCCCC)cc2)CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.502

CB1 binding score: -17.372

InChIKey:
ACOLREACBPQROW-UHFFFAOYSA-N

ID: 93907

SMILES:
C(C(C)C)CCC1(C)Oc2c(c(O)cc(CCCCC)c2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Prenyl quinone meroterpenoids

MW: 318.501

CB1 binding score: -18.907

InChIKey:
QJUCRNMXBGLZBA-UHFFFAOYSA-N

ID: 93908

SMILES:
OC(=O)C=Cc1c(OC)c2c(cc1C)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -15.328

InChIKey:
OHHGVBPJLCJLMQ-UHFFFAOYSA-N

ID: 93909

SMILES:
Oc1c(C2C=C(CCC=C(C)CCC=C(C)C)CCC2CC)c(O)c(C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.263

InChIKey:
QAFUYFFTQXNKSX-UHFFFAOYSA-N

ID: 93910

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCc1ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.513

CB1 binding score: -17.334

InChIKey:
PIWAJPWCAQCTNI-UHFFFAOYSA-N

ID: 93911

SMILES:
C1(C)=CC2C(C2(C)C)CCC2(C)Oc3c(c(O)cc(CCCC)c3)C2C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -10.446

InChIKey:
GIESKOXIPJNRGU-UHFFFAOYSA-N

ID: 93912

SMILES:
C(C=Cc1cc(O)cc2c1OC(C)(C)C1C2CC(C)=CC1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.382

CB1 binding score: -15.16

InChIKey:
QVSCUFAIJQYHTK-UHFFFAOYSA-N

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93892–93912 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