Browse

Molecule Identifiers
Molecular Properties

ID: 126820

SMILES:
C(C(O)c1c(O)cc(CCCCC)cc1OC(C(=CC)C)=O)=C1C(C(=C)C)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -14.53

InChIKey:
NUADNHABANBYIW-UHFFFAOYSA-N

ID: 126821

SMILES:
C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(CO)=CC1CC2(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -2.507

InChIKey:
SGZZSTFYJORGCW-UHFFFAOYSA-N

ID: 126822

SMILES:
C(C)CCCCCCCCCCCCCCc1cc(OC)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.793

CB1 binding score: -16.604

InChIKey:
MBCHEJJIPPBPIH-UHFFFAOYSA-N

ID: 126823

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 126824

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(COC(C)=O)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -19.773

InChIKey:
ILHSUWMZKIAMCQ-UHFFFAOYSA-N

ID: 126825

SMILES:
c1(C(C)C)cc(O)c(OC)c2c1OC(C)(C)C1CCC(C)=CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.591

InChIKey:
RTKQROKODWZNLI-UHFFFAOYSA-N

ID: 126826

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 126827

SMILES:
C(C)(=C)C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 126828

SMILES:
C(C)(C1C(c2c(=O)c3ccccc3[nH]c2CO)CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 503.683

CB1 binding score: -13.522

InChIKey:
BKQDDZGBYKVVBU-UHFFFAOYSA-N

ID: 126829

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2O)C2C(O)C(C)(O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -19.298

InChIKey:
MQXCBGKFCUXOIM-UHFFFAOYSA-N

ID: 126830

SMILES:
O=C(C)OCC1C(Cc2c(O)c(C)cc(OC)c2)(C)OC12OCC(C)=CC2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.432

CB1 binding score: -13.486

InChIKey:
WOCNLFFYJDWABY-UHFFFAOYSA-N

ID: 126831

SMILES:
O1CC(C(CCC(C)(C)OC(C)=O)=C)C1c1c(O)cc(C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.412

CB1 binding score: Not available

InChIKey:
USJPCOWTRXNZSI-UHFFFAOYSA-N

ID: 126832

SMILES:
C1C(C(C)C)(O)C(c2c(O)cc(CCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.093

InChIKey:
MCDPOKHXTOSYSL-UHFFFAOYSA-N

ID: 126833

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.482

InChIKey:
MGVGKAHGFDHWRK-UHFFFAOYSA-N

ID: 126834

SMILES:
C1(C)=CC2c3c(cc(CC=C(C)C)c(o3)=O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 314.425

CB1 binding score: -14.762

InChIKey:
RZHPXNYPIYWXFR-UHFFFAOYSA-N

ID: 126835

SMILES:
C12C(C)(CCCC(C)=CC(OCCCC)C=C(C)C1CC=CC(C)(O)C)Oc1c(C)cc(O)cc1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.732

CB1 binding score: -15.787

InChIKey:
PMGTWLOHVYTUDU-UHFFFAOYSA-N

ID: 126836

SMILES:
C1(O)C(C)(C)C23Oc4c(cc(CCCCC)cc4O)CC2CCC3C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.252

InChIKey:
BOCNUMJMHUDHOG-UHFFFAOYSA-N

ID: 126837

SMILES:
CC1C(C(=O)O)C(C(C)=C)C(c2c(O)cc(CCCCC)cc2OC)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -14.239

InChIKey:
OFEYKFGJONADSF-UHFFFAOYSA-N

ID: 126838

SMILES:
C(=C(C)C)CCC(C)=CCc1c(OC)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.187

InChIKey:
ZKXZJUZIDUHJLH-UHFFFAOYSA-N

ID: 126839

SMILES:
C(CC(C(C1C2(c3c(O)cc(C)cc3OC2)CC1O)C)=O)(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.412

CB1 binding score: -15.838

InChIKey:
OOFZLSAOUYTYHW-UHFFFAOYSA-N

ID: 126840

SMILES:
c1c2c3c(c(O)c1)C1C=C(C)CCC1C(C)(C)Oc2cc(C)c3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.421

CB1 binding score: -14.073

InChIKey:
YYNAPEMQGSATCE-UHFFFAOYSA-N

◀6037603860396040604160426043▶
126820–126840 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