Browse

Molecule Identifiers
Molecular Properties

ID: 101872

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.712

InChIKey:
SBLQFIJJHXJVBQ-UHFFFAOYSA-N

ID: 101873

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)c(C=O)c(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -17.241

InChIKey:
ZRENVVUZARSAET-UHFFFAOYSA-N

ID: 101874

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(C(C)C)CCC(C)(O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.961

InChIKey:
CNKSTABSFLNANJ-UHFFFAOYSA-N

ID: 101875

SMILES:
C1(C)COc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 220.312

CB1 binding score: -17.981

InChIKey:
UWGQWWRWOAVBSG-UHFFFAOYSA-N

ID: 101876

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(OC)c(CC(O)=O)c(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -13.746

InChIKey:
WYHRZIDZLPIDDC-UHFFFAOYSA-N

ID: 101877

SMILES:
C=C(C)C1CCC(C)=CC1c1c(O)cc(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 101878

SMILES:
O=C(Oc1cc(C)cc(O)c1C1C(C(C)=C)CCC(C)=C1)C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -15.271

InChIKey:
AOANURBAPYRZOK-UHFFFAOYSA-N

ID: 101879

SMILES:
c1c(CCCCC)cc2c(c1)OC(C)(C)C1CC=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -15.635

InChIKey:
KBZDWGQJKBBSBG-UHFFFAOYSA-N

ID: 101880

SMILES:
C12C=C(C)CCC1C(C)(C)Oc1c2ccc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.912

InChIKey:
JKUWZILTAIFPQY-UHFFFAOYSA-N

ID: 101881

SMILES:
Oc1c(C)cc(O)cc1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.975

InChIKey:
UUVKQBRZNCLIFS-UHFFFAOYSA-N

ID: 101882

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19

InChIKey:
VCUWNGMQOOFWFS-UHFFFAOYSA-N

ID: 101883

SMILES:
CC12c3c(c(OC)c(C)cc3O)C(O)C1C(C)(C)OC(=O)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.358

CB1 binding score: -16.308

InChIKey:
TVRAAXGHBPOQTN-UHFFFAOYSA-N

ID: 101884

SMILES:
Oc1c(C2C(C(=C)CO)CCC2(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.129

InChIKey:
OYPXUWBYBQRREA-UHFFFAOYSA-N

ID: 101885

SMILES:
C1CC(C(C)(C)O)C(c2c(O)cc(CCCCCCCCCC)cc2OC)CC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.7

CB1 binding score: -16.624

InChIKey:
ZUWHGOQYNQCTKE-UHFFFAOYSA-N

ID: 101886

SMILES:
C(c1cc(O)cc2c1OC(C)(CCC(O)C(=C)C)C(O)C2)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -13.583

InChIKey:
LDGNXQKRRBJOCL-UHFFFAOYSA-N

ID: 101887

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C(=O)CC(C)(O)CC(O)C=C(C)CC=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -16.87

InChIKey:
GNMYQPMERMMIAH-UHFFFAOYSA-N

ID: 101888

SMILES:
C(CCCC)c1cc(O)c2c(c1)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: 101889

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1c2cc(O)c(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.623

InChIKey:
MUNXTPXTGBOZLU-UHFFFAOYSA-N

ID: 101890

SMILES:
C(OC1c2c(O)cc(CCCCC)cc2OC1(C)C)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.473

CB1 binding score: -14.291

InChIKey:
SGUNWCSDXYKEPM-UHFFFAOYSA-N

ID: 101891

SMILES:
C1(C)CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 101892

SMILES:
C(Cc1cc(OC)c2c(c1)OC(C)(C)C1C2CC(c2ccc(OC)c(C)c2OC)O1)CC=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 548.764

CB1 binding score: -16.944

InChIKey:
QMCLZUDSAPKCGA-UHFFFAOYSA-N

◀4849485048514852485348544855▶
101872–101892 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