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Molecule Identifiers
Molecular Properties

ID: 75790

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(CCC(C)(C=C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.091

InChIKey:
BIDZRSZOKJXNBO-UHFFFAOYSA-N

ID: 75791

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 356.55

CB1 binding score: -18.934

InChIKey:
LDZQKZLPWVBJOB-UHFFFAOYSA-N

ID: 75792

SMILES:
c1(O)cc(C)cc2c1-c1ccc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -16.502

InChIKey:
MABGFUATJWNWEL-UHFFFAOYSA-N

ID: 75793

SMILES:
c1c(C)cc(O)c2c1-c1c(cc(CCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.382

CB1 binding score: -15.616

InChIKey:
XJFLSIAUGFXBKR-UHFFFAOYSA-N

ID: 75794

SMILES:
c1(CC=C(CCC=C(C)C)C)c(O)c2c(c(O)c1)CC(C)=C(C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -14.239

InChIKey:
CUAOYGPTNYNJSG-UHFFFAOYSA-N

ID: 75795

SMILES:
C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 75796

SMILES:
C(C)(=CCc1c(O)c(C2C(C(=C)C)CC=C(C)C2)c(O)cc1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -13.629

InChIKey:
KGKHCMYQJNOBGF-UHFFFAOYSA-N

ID: 75797

SMILES:
C1(c2c(O)ccc(CCCCC)c2)OC(=O)C(CCC=C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.767

InChIKey:
ZAJNVDVCGSBCBJ-UHFFFAOYSA-N

ID: 75798

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -15.926

InChIKey:
LHMSWBPFMJKLPW-UHFFFAOYSA-N

ID: 75799

SMILES:
C(C1(C)OC(=O)C23c4c(cc(CCCCC)cc4OC2)OC13)(C)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.38

CB1 binding score: -15.454

InChIKey:
SWSOPBIJAMYQKP-UHFFFAOYSA-N

ID: 75800

SMILES:
C(C)(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C(=O)O)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.545

InChIKey:
LQKHAIQDNYSKFE-UHFFFAOYSA-N

ID: 75801

SMILES:
C1C(C)(C=C)Cc2c(O)c(C(=O)O)c(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -14.042

InChIKey:
WUZYUQPJPALXRO-UHFFFAOYSA-N

ID: 75802

SMILES:
O=C(C1OC2=C(C(=O)C(CCCCC)=CC2=O)C=CC(C)(C)CC=C1C)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -16.17

InChIKey:
AOWCEYILKAUVOQ-UHFFFAOYSA-N

ID: 75803

SMILES:
CC(O)(C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.74

InChIKey:
ACHYTYLWIDCVGA-UHFFFAOYSA-N

ID: 75804

SMILES:
c1(C)c2c(c(O)c3c1OC(C)C3)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.452

InChIKey:
VOMQIHFAVMQEME-UHFFFAOYSA-N

ID: 75805

SMILES:
c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 75806

SMILES:
C1(OC(=O)C)C(OC(C)=O)C2C(CC=C(C)C2)C(C)(C)Oc2cc(C(C(OC(C)=O)C(C)CC)C)ccc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 528.686

CB1 binding score: -17.452

InChIKey:
JLOXMGIDBADIHL-UHFFFAOYSA-N

ID: 75807

SMILES:
CC(CC(OC(=O)C)C=C(C)C)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.634

InChIKey:
QOHDSCOUINCIFP-UHFFFAOYSA-N

ID: 75808

SMILES:
Cc1c(O)c(CC2=CCC3C(C)(C)Oc4cc(CCCCC)cc(O)c4C32)ccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.566

CB1 binding score: -14.56

InChIKey:
JOMUQLPQEBAITQ-UHFFFAOYSA-N

ID: 75809

SMILES:
c12c(ccc(CCCCC)c1)OC(C)(C)c1c-2cc(OC)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -16.285

InChIKey:
HRHHUSSVBQGTRD-UHFFFAOYSA-N

ID: 75810

SMILES:
C(CCCc1cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

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75790–75810 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