Browse

Molecule Identifiers
Molecular Properties

ID: 138160

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 138161

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2C(=O)C(C)=CC1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.532

InChIKey:
WOFGKERHNFDOIU-UHFFFAOYSA-N

ID: 138162

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(COC)=CC12)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.159

InChIKey:
PRDCVWAYQGJWGY-UHFFFAOYSA-N

ID: 138163

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 138164

SMILES:
C(CCCCC)CCCCCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -17.696

InChIKey:
PJMICWGXKSAMHL-UHFFFAOYSA-N

ID: 138165

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C1C=C(C)C(O)CC1C(C)=C)C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -14.665

InChIKey:
VHZSKHJNJJASKZ-UHFFFAOYSA-N

ID: 138166

SMILES:
CC(O)C=CC1C(C(OC(=O)C)(C)C)C(c2c(O)cc(CCC)cc2O)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -15.879

InChIKey:
CXGYVQUCIYDZMB-UHFFFAOYSA-N

ID: 138167

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 138168

SMILES:
C1=CC(C)(C)Oc2c1ccc(CCCC(=C)C)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -15.145

InChIKey:
GANFHKBDEYKTRZ-UHFFFAOYSA-N

ID: 138169

SMILES:
O1c2c(c(OC)cc(CCCCC)c2)C(C=CC=C(C23C(O)C(=O)C(C)(CC2=C(C)C)C3)C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.629

CB1 binding score: -12.246

InChIKey:
ZCAIVDXFZGWKMX-UHFFFAOYSA-N

ID: 138170

SMILES:
C(C=C)c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -18.166

InChIKey:
FGEQAFJXCIBXCD-UHFFFAOYSA-N

ID: 138171

SMILES:
C1(C)(C)C2C(c3c(O)cc(CCCCC)cc3O1)CC(C)=CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.035

InChIKey:
KEAXRVVDSBXMMT-UHFFFAOYSA-N

ID: 138172

SMILES:
CC1=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 138173

SMILES:
c1(O)cc(O)c(C2C=C(C)CCC2C(=C)C)c(OC)c1C(O)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -15.876

InChIKey:
AZMXTGSHUQLXRO-UHFFFAOYSA-N

ID: 138174

SMILES:
c1c(O)cc(CC=C(C)CCC=C(C)C)c(O)c1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.748

InChIKey:
VRXKPPYOGGSRFK-UHFFFAOYSA-N

ID: 138175

SMILES:
O1c2cc(C)cc(O)c2C2CC(C)=CC(=O)C2(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.317

CB1 binding score: -14.041

InChIKey:
GOMLXGVWNGAWAC-UHFFFAOYSA-N

ID: 138176

SMILES:
C1(C(=C)C)C=CC(C)(C)C(c2cc(CCCCC)cc(O)c2)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -14.991

InChIKey:
KGBRAJBQSKNDEN-UHFFFAOYSA-N

ID: 138177

SMILES:
c1c(CCOC(C)=O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.532

InChIKey:
GPDQOKRZGIGBNB-UHFFFAOYSA-N

ID: 138178

SMILES:
C1C(O)(C)C(OC(C)(C)CCc2c(O)c(CC=C(C)CCC=C(C)C)c(O)cc2)CC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.667

CB1 binding score: -10.73

InChIKey:
NUZWQTJEKMJZDD-UHFFFAOYSA-N

ID: 138179

SMILES:
CC(c1ccc2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -18.616

InChIKey:
ZPASLEJAPOOBOK-UHFFFAOYSA-N

ID: 138180

SMILES:
CC1(C)C2CCC(C(=O)O)=CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -18.036

InChIKey:
BTTRWQMCLAXICU-UHFFFAOYSA-N

◀6577657865796580658165826583▶
138160–138180 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