Browse

Molecule Identifiers
Molecular Properties

ID: 130621

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCC)cc2OC)C1C(C)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.011

InChIKey:
SCNFSDAEHVCDFQ-UHFFFAOYSA-N

ID: 130622

SMILES:
C(c1cccc2c1OC(C)(C)C1CC=C(C)CC21)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -13.707

InChIKey:
OBPRRVWLYQIUKH-UHFFFAOYSA-N

ID: 130623

SMILES:
C(=CCC=CCCc1cc2c(c(O)c1)C1CC(=C(C)C)C(=O)CC1(C)O2)OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -16.563

InChIKey:
DBBVGFPHDSBXCR-UHFFFAOYSA-N

ID: 130624

SMILES:
C12C(C)(O)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.762

InChIKey:
ICMJYQRNULRNTK-UHFFFAOYSA-N

ID: 130625

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 130626

SMILES:
c1(O)cc2c(cc1CCCC)OC1(C)CCC3C(C)(C)C3C1C(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -14.09

InChIKey:
XTACMYCJVPVQQU-UHFFFAOYSA-N

ID: 130627

SMILES:
c1(OC)cc(O)c(C2C=C(C)CCC2C(C)=C)c(Cc2occ(C)c2-c2cc(CC)cc(O)c2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.625

CB1 binding score: -14.149

InChIKey:
BJXXMDGZHWTKFN-UHFFFAOYSA-N

ID: 130628

SMILES:
C(CCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.334

InChIKey:
FIANGNLJIFILTA-UHFFFAOYSA-N

ID: 130629

SMILES:
C(CCCCCCCCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -15.735

InChIKey:
FZXDYPRSQXKVSE-UHFFFAOYSA-N

ID: 130630

SMILES:
C1(C)=CCC(O)C(C)(O)CCC2C1c1c(cc(CCCCC)cc1OC)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -16.096

InChIKey:
RZOPWDQJKWBCDS-UHFFFAOYSA-N

ID: 130631

SMILES:
c1(O)c2c(cc(CCCCC)c1)C1CC(C)(O2)CCC2=C(C)CCC(C(C)(C)O)OC2=C1C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.661

CB1 binding score: -13.964

InChIKey:
OJSXLHOXEXZFQG-UHFFFAOYSA-N

ID: 130632

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C(=O)C=C(C)C2CCC1C(=O)OC2OC1C1C2(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.627

CB1 binding score: -11.984

InChIKey:
FCZVKRONVYGZHC-UHFFFAOYSA-N

ID: 130633

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)c(C(=O)CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.107

InChIKey:
XGCFVWQDVWDZMU-UHFFFAOYSA-N

ID: 130634

SMILES:
C(C)(C1C(c2c(O)cc(O)cc2CC=C(C)C)OC(C)(C)C1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.83

InChIKey:
QWBDNDPKGZPOHM-UHFFFAOYSA-N

ID: 130635

SMILES:
c1cc(O)c(C2C(C(=C)C)CCC(C)=C2)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.401

InChIKey:
YRXZLRWBEYIBHE-UHFFFAOYSA-N

ID: 130636

SMILES:
C1(C)=CCC2C(C)(C)Oc3cc(CCC(=O)OC)oc3CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -16.591

InChIKey:
SWPKNRWEJJILTQ-UHFFFAOYSA-N

ID: 130637

SMILES:
C(CCc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 130638

SMILES:
C(c1c2c(cc(C(C(C)CC)=O)c1O)OC(C)(C)C1CCC(C)(CC2=O)O1)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -16.376

InChIKey:
LASJASAISUSEOK-UHFFFAOYSA-N

ID: 130639

SMILES:
CC1(C)Oc2cc(CCCC)cc(O)c2C=CC(C)(O)CCC=C(C)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -13.34

InChIKey:
IVDXQPDMCMKPDC-UHFFFAOYSA-N

ID: 130640

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 314.469

CB1 binding score: -18.687

InChIKey:
WLQHMAXRUPMVPI-UHFFFAOYSA-N

ID: 130641

SMILES:
CC(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.364

InChIKey:
WMVGNJCRBSITQR-UHFFFAOYSA-N

◀6218621962206221622262236224▶
130621–130641 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