Browse

Molecule Identifiers
Molecular Properties

ID: 140869

SMILES:
COC12Cc3c(c(O)c(C)cc3OC)OC(C)(C)C1CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -15.519

InChIKey:
KXPQJARLCLYNEI-UHFFFAOYSA-N

ID: 140870

SMILES:
C1(O)=C(C)CC(O)c2c(O)cc(CCCCC)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -15.552

InChIKey:
IRHOHIABYBAYLN-UHFFFAOYSA-N

ID: 140871

SMILES:
C(c1cc(OC)c(C2C=C(C)CCC2C(C)=C)c(O)c1)Cc1ccc(O)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.511

CB1 binding score: -16.637

InChIKey:
YCPJCCHZPQQPMB-UHFFFAOYSA-N

ID: 140872

SMILES:
Oc1c2c(cc(C(=O)CCCCC)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.803

InChIKey:
QTBJLWIIIXEAOY-UHFFFAOYSA-N

ID: 140873

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.84

InChIKey:
UYNCPAYUIGKYHP-UHFFFAOYSA-N

ID: 140874

SMILES:
COc1c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 140875

SMILES:
Oc1c2c(cc(CCCCC)c1)OC1(C3C(C(C)CO3)CCC1C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: Not available

InChIKey:
KTGUKXRRDCLKMQ-UHFFFAOYSA-N

ID: 140876

SMILES:
C(C(C=C(C)CCC=C(C)C)O)(=O)C(C1Oc2c(c(O)cc(CCCCC)c2)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -13.758

InChIKey:
NPGFVXXBOPMDOO-UHFFFAOYSA-N

ID: 140877

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.391

InChIKey:
ASEYPSTZMFGEOQ-UHFFFAOYSA-N

ID: 140878

SMILES:
c1c(CC(C)C)cc(O)c(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.315

InChIKey:
WTRKRGRMUBVMKA-UHFFFAOYSA-N

ID: 140879

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C(O)CCC(C)(O)C=CC(=O)C(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -15.821

InChIKey:
PEUUUFOJRYPHEM-UHFFFAOYSA-N

ID: 140880

SMILES:
C(CCC)Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 140881

SMILES:
CC(=CCC=C(C)C)C1c2c(O)cc(CCC)cc2OC12C(O)C(=O)c1c(cc(O)c(C(=O)O)c1)OC2C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.594

CB1 binding score: -15.442

InChIKey:
VYYMOIPSBKLYIZ-UHFFFAOYSA-N

ID: 140882

SMILES:
Brc1c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 379.382

CB1 binding score: -16.537

InChIKey:
GZRYLUHSXWYAKB-UHFFFAOYSA-N

ID: 140883

SMILES:
CC1=CC(c2cc(CCCC)ccc2O)C(C(C)(C)O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -16.608

InChIKey:
FRWBGSFWWDYVKI-UHFFFAOYSA-N

ID: 140884

SMILES:
C1(C)(C)Oc2c(c(O)cc(C)c2)C2C(OC(CC(C)C)=O)C=C(C)C(OC(C)=O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.541

CB1 binding score: -12.673

InChIKey:
ZALVVEQNQQJDNE-UHFFFAOYSA-N

ID: 140885

SMILES:
CC(CCC=C(C)C)=CCc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 140886

SMILES:
C1(C(C)(C)O)CC(O)C(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.88

InChIKey:
WLCIBYYEYMEEIL-UHFFFAOYSA-N

ID: 140887

SMILES:
C12(C)C(=O)OC(C(O)C1O)c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.357

CB1 binding score: -15.884

InChIKey:
IGQWINQHKDKNNA-UHFFFAOYSA-N

ID: 140888

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 140889

SMILES:
c1c(C2C=C(C)CC(c3c(O)cc(CCCCC)cc3O)O2)c(C)cc(OC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -16.686

InChIKey:
XFXZNUTVWFAMNP-UHFFFAOYSA-N

◀6706670767086709671067116712▶
140869–140889 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