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Molecule Identifiers
Molecular Properties

ID: 129529

SMILES:
c1c(O)c(CC=C(CCC=C(C)C)C)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -15.929

InChIKey:
PJTCXRZKIDGCQC-UHFFFAOYSA-N

ID: 129530

SMILES:
C1=CC(C)(C)Oc2cc(O)cc(CCCCC)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -17.388

InChIKey:
MSBZVKLTPVIGLC-UHFFFAOYSA-N

ID: 129531

SMILES:
CC(CCCC1(C)Oc2cc(C)cc(O)c2CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Prenyl quinone meroterpenoids

MW: 262.393

CB1 binding score: -18.334

InChIKey:
QKBTYGXWHOWCRB-UHFFFAOYSA-N

ID: 129532

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 129533

SMILES:
C(c1cc(O)c(C2C=C(CCC=C(C)C)C(=O)C(C)(O)C2)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.34

InChIKey:
BZBRCSLRZUKHFC-UHFFFAOYSA-N

ID: 129534

SMILES:
c12c3c(cc(CCCCC)c1)OC(C)(C)C3(O)CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.715

InChIKey:
KFEXLCONSVNWPU-UHFFFAOYSA-N

ID: 129535

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129536

SMILES:
C(=Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -17.329

InChIKey:
UXMYALNHHLVVAU-UHFFFAOYSA-N

ID: 129537

SMILES:
C1(O)C2C(C(C(C)=C)c3c(OC)cc(CCCCC)cc31)OC(C(C)(OC)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -14.692

InChIKey:
UVANXAYXBDAKPA-UHFFFAOYSA-N

ID: 129538

SMILES:
CC(=CCC1(O)Oc2c(cc(CCCCC)cc2O)C1)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -17.066

InChIKey:
ALXMSFPTEALHTA-UHFFFAOYSA-N

ID: 129539

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129540

SMILES:
c1(O)c(C(=O)C)cc(O)c2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.281

InChIKey:
MCIRKHBTOZPEOK-UHFFFAOYSA-N

ID: 129541

SMILES:
c1(O)c(CC=C(CCC=C(C)C)C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -18.509

InChIKey:
GYMCVCVNOOJXQB-UHFFFAOYSA-N

ID: 129542

SMILES:
CC12Oc3cc(CCCCC)cc(O)c3C1C(C(=C)C)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.8

InChIKey:
NGFOSZOPFLBSAN-UHFFFAOYSA-N

ID: 129543

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.956

InChIKey:
ZKWJTCFAAXQQLZ-UHFFFAOYSA-N

ID: 129544

SMILES:
O1C(C)(C)C2C(C=C(C)CC2)c2cc(C)cc(O)c21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.913

InChIKey:
USHZBDBBZHEKPJ-UHFFFAOYSA-N

ID: 129545

SMILES:
C1(CC=C(C)C)CCCC(C)(C)C(c2ccccc2O)OC(C)(C)C(O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -12.506

InChIKey:
HKUDYWRCSFENLC-UHFFFAOYSA-N

ID: 129546

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -20.649

InChIKey:
ZHYPKENABBMAAN-UHFFFAOYSA-N

ID: 129547

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129548

SMILES:
O=C1c2c(O)cc(CCCCC)cc2OC(C)(CCC=C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.376

InChIKey:
AAZSXXIEAYXFSH-UHFFFAOYSA-N

ID: 129549

SMILES:
c1(C2C(C(=C)C)CCC(C)=C2)c(C)cccc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -16.751

InChIKey:
DGFCSHDGQIITLF-UHFFFAOYSA-N

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129529–129549 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