Browse

Molecule Identifiers
Molecular Properties

ID: 134212

SMILES:
C1CC(C(C)(O)C)C(c2c(O)cc(OC)cc2CC=C(C)C)C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.358

InChIKey:
QMPBTHXEEUWAQN-UHFFFAOYSA-N

ID: 134213

SMILES:
C1C(C(=C)C)C(c2c(CCCCC)cc(O)cc2O)CC(CO)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.702

InChIKey:
AKQAFEFCDKLVRR-UHFFFAOYSA-N

ID: 134214

SMILES:
C1C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(OC4C(O)C(O)C(O)C(CO)O4)c3C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.626

CB1 binding score: -14.658

InChIKey:
LUWHOVVFHAEXMF-UHFFFAOYSA-N

ID: 134215

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C=C(COC(C=C(C)C)=O)C(=O)CC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.553

CB1 binding score: -14.518

InChIKey:
WDDWQJAPGFGVSM-UHFFFAOYSA-N

ID: 134216

SMILES:
C(O)(=O)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC2(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -17.088

InChIKey:
CFPIKJGAIQJQQC-UHFFFAOYSA-N

ID: 134217

SMILES:
CC12OC1CCC(C)=CC1c3c(cc(C)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.965

InChIKey:
BALZWXONZJOZKH-UHFFFAOYSA-N

ID: 134218

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 134219

SMILES:
C(=O)C(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.672

InChIKey:
NOCANYORFJKYIY-UHFFFAOYSA-N

ID: 134220

SMILES:
CC1(C)CC2C(=C1OC)C(=O)C1(CC(C)=CCc3c(O)cc(C)cc3O1)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.445

CB1 binding score: -14.335

InChIKey:
MIEVRKRSRFRZQH-UHFFFAOYSA-N

ID: 134221

SMILES:
C1(C(C)(O)CO)Cc2c(C)c(C(=O)C(CC)C)c(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.503

InChIKey:
LVNUVXMLXSGBJX-UHFFFAOYSA-N

ID: 134222

SMILES:
C1=C(CO)CCC=C(C)CCC2C(C)(C)Oc3cc(C)cc(OC)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -10.91

InChIKey:
NMKDCHNYDQMHTD-UHFFFAOYSA-N

ID: 134223

SMILES:
C12=CC(=C)CCC1C(C)(C)Oc1cc(CCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -17.271

InChIKey:
IIWMETOTRHQXFD-UHFFFAOYSA-N

ID: 134224

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 134225

SMILES:
C1C(=O)C(C)=CC2C1C(C)(C)Oc1cc(C(CC(=O)C=CC(C(O)=O)C)C)cc(OC)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.536

CB1 binding score: -13.054

InChIKey:
QSYAXMOSOLAHES-UHFFFAOYSA-N

ID: 134226

SMILES:
C1(C(=C)C(=O)OC2C(O)C(O)C(O)C(CO)O2)CCC(C)=CC1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.538

CB1 binding score: -14.584

InChIKey:
SCCSAQHAAFMZCP-UHFFFAOYSA-N

ID: 134227

SMILES:
CC1(C)C(Oc2c(CCCCC)cc(O)c(C3OCC(C)=CC3)c2)C(=O)C2=C(OCC2C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.59

CB1 binding score: -16.502

InChIKey:
SWZJEORNZJBYLN-UHFFFAOYSA-N

ID: 134228

SMILES:
c1(OC)c(O)cc(C)c(C2C(C(=C)C)CCC(C)=C2)c1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.844

InChIKey:
CLFAFPYVIGSGDU-UHFFFAOYSA-N

ID: 134229

SMILES:
C(C1=C2C3(C(C)CCC(=C23)C(C)(C)O)CC1=O)CCCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -15.741

InChIKey:
ZWMKNYXCVUOWBN-UHFFFAOYSA-N

ID: 134230

SMILES:
CCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -18.065

InChIKey:
IZPWGSSARHBNLC-UHFFFAOYSA-N

ID: 134231

SMILES:
C12(CC(=O)NC1=NC)C1CCC(C)=CC1c1c(cc(CCC(C)O)cc1O)OC2C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.53

CB1 binding score: -13.443

InChIKey:
NJORHQLVVQRUAV-UHFFFAOYSA-N

ID: 134232

SMILES:
C1CCC(C)(O)C2=C1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.352

InChIKey:
VMMBZRFIAKVXHN-UHFFFAOYSA-N

◀6389639063916392639363946395▶
134212–134232 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