Browse

Molecule Identifiers
Molecular Properties

ID: 135220

SMILES:
C(Cc1cc(OC)c(O)c(C2C=C(C(=O)O)CCC2C(=C)C)c1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -17.639

InChIKey:
NTYACCQEYOZBTI-UHFFFAOYSA-N

ID: 135221

SMILES:
C1(C)=CC(c2cc(CCC(=O)O)ccc2O)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.596

InChIKey:
XMEKZWSHAHWCBY-UHFFFAOYSA-N

ID: 135222

SMILES:
c1(O)c2c(c(OC)c(CCC=CCC)c1)OC(C)(C)C1CC(=O)C(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -14.457

InChIKey:
JHEMYSXMEMAXBH-UHFFFAOYSA-N

ID: 135223

SMILES:
C12C(C(CO)CCC1C=C)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.519

InChIKey:
YVRFDDOYZXGHPL-UHFFFAOYSA-N

ID: 135224

SMILES:
C1(C)(C)c2c(O)cc(CCCC)cc2OC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -16.329

InChIKey:
LREDPUYNWHQLBD-UHFFFAOYSA-N

ID: 135225

SMILES:
c1(CC(C)C(O)(C)C)ccc2c(c1)OC(C)(C)C1=C2CC(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -12.141

InChIKey:
YQIJCUKULWNLFN-UHFFFAOYSA-N

ID: 135226

SMILES:
CC(=O)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -15.713

InChIKey:
OXFYPNZSBDHEDX-UHFFFAOYSA-N

ID: 135227

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 135228

SMILES:
O1c2cc(CCC)cc(O)c2C2C3C1(C)CCC(=O)C3(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -14.084

InChIKey:
FBHKNHRCPIMHDA-UHFFFAOYSA-N

ID: 135229

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCC)cc2O)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -16.583

InChIKey:
NFWUXZMFEAKHTA-UHFFFAOYSA-N

ID: 135230

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2OC)C(C(C)=C)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -13.068

InChIKey:
KHTHSTXDVNKVSR-UHFFFAOYSA-N

ID: 135231

SMILES:
c1(CC=C(C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 135232

SMILES:
C12C3=C(C(C)CC1C(C(=C)C)=O)CCC2(C)Oc1c(c(O)cc(CCCCC)c1)-c1c(c2c(cccc2)o3)C1(O)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 568.754

CB1 binding score: -14.605

InChIKey:
CKFHEVRBABFULF-UHFFFAOYSA-N

ID: 135233

SMILES:
O1C(C)(C)C=Cc2c1c(C)c(CCCCC)cc2OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -16.502

InChIKey:
MJRZPJPWQLWJSD-UHFFFAOYSA-N

ID: 135234

SMILES:
C(O)C1=CC2c3c(O)cc(CCCCC)cc3OC2(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.717

InChIKey:
COFXLQSRRUBXNZ-UHFFFAOYSA-N

ID: 135235

SMILES:
C(C)(C1CCC(C)=CC1c1c(O)cc(CCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 135236

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 135237

SMILES:
Clc1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2CC(=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.914

CB1 binding score: -16.016

InChIKey:
KLYYYWYLSDPMMM-UHFFFAOYSA-N

ID: 135238

SMILES:
CCCc1cc(O)c2c(c1)OC1(C)C(C(C(C)(O)C)CC1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.502

InChIKey:
LUCDGYKTGYUJBU-UHFFFAOYSA-N

ID: 135239

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 135240

SMILES:
c12c(O)c(OC3OCC(O)C(O)C3O)c(CO)cc1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.474

CB1 binding score: -15.98

InChIKey:
KMFXIDKNLUSLNO-UHFFFAOYSA-N

◀6437643864396440644164426443▶
135220–135240 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