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Molecule Identifiers
Molecular Properties

ID: 69490

SMILES:
C=C(C1C(CC(C)C2C(C)(CC)Oc3cc(O)cc(C)c3C2)C(C)(C)O1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -17.313

InChIKey:
QLHAQMBANAAZRQ-UHFFFAOYSA-N

ID: 69491

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C(OO)C12)CCCCC#CC(O)(C)C=CC1OC(=O)C=CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 536.665

CB1 binding score: -14.719

InChIKey:
WYCKDFJVXZQSBV-UHFFFAOYSA-N

ID: 69492

SMILES:
C(C=C(C)C)CC(C)=CCOc1cc(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.28

InChIKey:
UHNGDHVOGKMKHT-UHFFFAOYSA-N

ID: 69493

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.821

InChIKey:
CUWJKLPAOPPJHN-UHFFFAOYSA-N

ID: 69494

SMILES:
C1C(CO)C(C)(C(CC(=CCc2c(O)c(C)cc(O)c2)C)O)CC=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.023

InChIKey:
LGKMVQAZKNXZKT-UHFFFAOYSA-N

ID: 69495

SMILES:
C1(C(C)C)CCC(=O)C2Oc3c(c(O)cc(CCCCC)c3)C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.583

InChIKey:
NPPVTIJUTNYCJJ-UHFFFAOYSA-N

ID: 69496

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCC)cc2OC)C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 69497

SMILES:
c1(O)c(C2C=C(C)CCC2C(=C)C)c(O)c(C=O)c(O)c1CC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -16.929

InChIKey:
KCSSLCDTEFCDAH-UHFFFAOYSA-N

ID: 69498

SMILES:
O=C(OC1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.976

InChIKey:
PGFFULLVBBCSMB-UHFFFAOYSA-N

ID: 69499

SMILES:
C(CCC(C)=CCCC1(C)Oc2c(c(O)cc(CCCC)c2)C=C1)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -18.065

InChIKey:
IZPWGSSARHBNLC-UHFFFAOYSA-N

ID: 69500

SMILES:
C(CCc1cc(OC)c(C2C(C(C)=C)CC(Cl)C(C)(O)C2OC=O)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.965

CB1 binding score: -15.449

InChIKey:
YWKAHTGNVDKJCV-UHFFFAOYSA-N

ID: 69501

SMILES:
C(C)CCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -20.649

InChIKey:
ZHYPKENABBMAAN-UHFFFAOYSA-N

ID: 69502

SMILES:
C(c1c(C)cc2c(c1)OC(CCC1=C(C)CCCC1(C)C)=CO2)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -15.824

InChIKey:
RMPBGBDYHNVODT-UHFFFAOYSA-N

ID: 69503

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 69504

SMILES:
C12C3C(C)(C(=O)C=C3C(C)(CC(C3OC3(C)C)OC(C(=CC)C)=O)O1)OC(c1c(O)cc(C)cc1O)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 524.61

CB1 binding score: -13.885

InChIKey:
LQIMDIXNNMODMB-UHFFFAOYSA-N

ID: 69505

SMILES:
C1(C)=CCCC(=C)C2C(CC1)C(C)(C)Oc1c2cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.427

CB1 binding score: -17.454

InChIKey:
JOIGAAUCVYUZTJ-UHFFFAOYSA-N

ID: 69506

SMILES:
C1C2C(C)(C)CCCC2(C)Oc2c(c(O)cc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.83

InChIKey:
DMBPJGMZYGQXCR-UHFFFAOYSA-N

ID: 69507

SMILES:
C(Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21)(=O)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -19.066

InChIKey:
YEAXWZDIVNTDTG-UHFFFAOYSA-N

ID: 69508

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 69509

SMILES:
Oc1c2c(cc(CCCCC)c1)C1CC(C(=C)CO)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.426

InChIKey:
KWLRTIDNIIPFGZ-UHFFFAOYSA-N

ID: 69510

SMILES:
CC(=C)C1Cc2c(O)cc(CCCCC)c(C(=O)O)c2OC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.278

InChIKey:
XLAYZBXRYMXMTI-UHFFFAOYSA-N

3307330833093310331133123313
69490–69510 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