Browse

Molecule Identifiers
Molecular Properties

ID: 130810

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 130811

SMILES:
C1C2(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -16.203

InChIKey:
YHKQORWTTCKVJY-UHFFFAOYSA-N

ID: 130812

SMILES:
C12C(C)(C)Oc3cc(C)cc(O)c3C1C(=O)OC(C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 290.359

CB1 binding score: -15.256

InChIKey:
ZKCAQOCWOWMCOG-UHFFFAOYSA-N

ID: 130813

SMILES:
C(C)(=C)C=CCC(Cc1cc(O)c2c(c1)OC(C)(C)C1C2(O)CC(O)(C)C(O)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -16.092

InChIKey:
IIAMKFAWCTWKNT-UHFFFAOYSA-N

ID: 130814

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(OC(C)=O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -17.989

InChIKey:
ZTZGBEZKXBIYDU-UHFFFAOYSA-N

ID: 130815

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.171

InChIKey:
HFDMGJLGHZDMNB-UHFFFAOYSA-N

ID: 130816

SMILES:
C(CCc1c(C)c(C)cc(O)c1)C(CCC1=C(C)CCCC1(C)O)(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -15.929

InChIKey:
JMZBEWREAMMGPS-UHFFFAOYSA-N

ID: 130817

SMILES:
C1(c2cc(C(=O)O)c(C)cc2O)CC(C(C)=C)CCC1(CC)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.249

InChIKey:
FKNZPCQRNCROTG-UHFFFAOYSA-N

ID: 130818

SMILES:
C1C(C)C(O)C(=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -14.087

InChIKey:
AAKAJYMVJCSFQT-UHFFFAOYSA-N

ID: 130819

SMILES:
O1c2c(c(O)cc(CCCC)c2)C(O)C2C(C(=C)CC=CC(OO)(C)C)CCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -14.605

InChIKey:
NZMPXKUUKDYQLJ-UHFFFAOYSA-N

ID: 130820

SMILES:
c12c(c(O)cc(CCCC)c1)C1C=C(C(CC(C)C)C2)CCC1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -14.15

InChIKey:
TZNWZQUYZJKXEH-UHFFFAOYSA-N

ID: 130821

SMILES:
C1CC2(C)Oc3cc(CCCCC)cc(O)c3C(=O)C=C(C)C(=O)C2C1C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.662

CB1 binding score: -14.155

InChIKey:
OFCPZCZNNDMUJG-UHFFFAOYSA-N

ID: 130822

SMILES:
CC1=CC(c2c(O)cc(CCC)cc2O)C(C(C)(C)O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.168

InChIKey:
BMEOABJGGIYLGA-UHFFFAOYSA-N

ID: 130823

SMILES:
Oc1cccc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.225

InChIKey:
BEXSRXTVRHPHGL-UHFFFAOYSA-N

ID: 130824

SMILES:
CC(C)C1CCC(C)=CC1c1c(OC)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 130825

SMILES:
CC1(C)C(C(=O)CC(C)CO)c2c(cc(CCCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -14.606

InChIKey:
OGWQXKNLXJHCPY-UHFFFAOYSA-N

ID: 130826

SMILES:
CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.585

InChIKey:
DNTBFILTGOCICF-UHFFFAOYSA-N

ID: 130827

SMILES:
CC1(O)CCC(C(=C)C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.963

InChIKey:
DSNZBTMPMQRYNQ-UHFFFAOYSA-N

ID: 130828

SMILES:
C(c1c(O)c(C=O)c(O)c(C2C=C(C)CCC2C(=C)C)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.016

InChIKey:
LMWYIXVJAUHYJC-UHFFFAOYSA-N

ID: 130829

SMILES:
Oc1c(Cc2c(O)cc(Oc3cc(C)cc4c3C3(C)CCC(C(C)=C)C3C4)CC(O)C(C)=C2)c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 528.689

CB1 binding score: -16.199

InChIKey:
ZGNJYGOUKXMNOP-UHFFFAOYSA-N

ID: 130830

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.761

InChIKey:
SBOQRKQUBPQZCX-UHFFFAOYSA-N

◀6227622862296230623162326233▶
130810–130830 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