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Molecule Identifiers
Molecular Properties

ID: 133834

SMILES:
CC(=CCc1c(O)cc(CCC)cc1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 133835

SMILES:
c1(O)cc(C2C=C(C)CCC2C(C)=C)c(O)cc1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -18.579

InChIKey:
OYJXIBXDIWVTLP-UHFFFAOYSA-N

ID: 133836

SMILES:
CC(C)C1C2c3c(O)cc(CCCCC)cc3OC(C)(C)C1CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -16.778

InChIKey:
CYUAFFJWQXEEHR-UHFFFAOYSA-N

ID: 133837

SMILES:
c12c(O)c(O)ccc1OC(C)(C)C1CC(=O)C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -17.284

InChIKey:
FKIXEHIMMLRUCR-UHFFFAOYSA-N

ID: 133838

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

ID: 133839

SMILES:
Oc1c(C2C(C(C)=CCC=C(C)C)CC(O)C(C)=C2)c(O)ccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.943

InChIKey:
ZAYJOKBPDJWENE-UHFFFAOYSA-N

ID: 133840

SMILES:
C(CCC(C)C)C1=CCC2C1C(=O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 236.355

CB1 binding score: -16.437

InChIKey:
ZQZKJIGGSOYQSP-UHFFFAOYSA-N

ID: 133841

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1CC(=C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.055

InChIKey:
AOYYFUGUUIRBML-UHFFFAOYSA-N

ID: 133842

SMILES:
C1(c2ccc(O)cc2)Oc2cc(CCCCC)cc(OC(=O)C)c2C2CC(C)(CCC=C(C)C)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 490.684

CB1 binding score: -15.252

InChIKey:
FPLQGHUPBSWZPX-UHFFFAOYSA-N

ID: 133843

SMILES:
c12c(ccc(O)c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.07

InChIKey:
LIEZPCZOEMYUIR-UHFFFAOYSA-N

ID: 133844

SMILES:
C(C(C)=CCCC1(C)Oc2c(cc(Oc3cc(O)cc(C)c3)cc2CC)C1O)C=CC(C)(C)OO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.617

CB1 binding score: -15.89

InChIKey:
SSDUISYQLVYADD-UHFFFAOYSA-N

ID: 133845

SMILES:
O1c2c(c(O)cc(C)c2)C(c2ccc(O)cc2)CC1(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.474

CB1 binding score: -19.788

InChIKey:
MYCJBTNFPYGMFP-UHFFFAOYSA-N

ID: 133846

SMILES:
c1(C(O)(C)C)cc(O)c2c(c1)C(=O)CC1C(C)(C)OC(=O)C=CC1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.407

CB1 binding score: -14.963

InChIKey:
ADRVWRYTYZREDX-UHFFFAOYSA-N

ID: 133847

SMILES:
c1(O)cc(C)cc2c1C1C(C(C)(C)O2)C(O)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.188

InChIKey:
BWIJDRRLJZNTIG-UHFFFAOYSA-N

ID: 133848

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.242

InChIKey:
SGMHJYYFPYJELM-UHFFFAOYSA-N

ID: 133849

SMILES:
C12Oc3c(c(O)cc(CCC)c3)C1C(C)(C)CCC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -14.191

InChIKey:
VRAVQTIBDBGQNP-UHFFFAOYSA-N

ID: 133850

SMILES:
C12CCC(C)C13C(O)C(C(C)=C)CCC3(C)Oc1c2c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.981

InChIKey:
GYUDHDWYTMBXJN-UHFFFAOYSA-N

ID: 133851

SMILES:
Oc1cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(COC(C)=O)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -15.565

InChIKey:
FMDHYKKWHPHUAG-UHFFFAOYSA-N

ID: 133852

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 133853

SMILES:
C(C)CCCc1cc2c(c(O)c1)-c1c(cc(CCCCC)cc1OC(C=C(C)C)=O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -16.001

InChIKey:
MCJOPTBDWZURGT-UHFFFAOYSA-N

ID: 133854

SMILES:
C1(CCO)C(C(C)=C)C(c2cc(C(OC)=O)c(O)cc2O)C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.202

InChIKey:
DGHFRWCVYMFODV-UHFFFAOYSA-N

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133834–133854 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