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Molecule Identifiers
Molecular Properties

ID: 101830

SMILES:
C12=CCC(C)CC1c1c(C)cc(O)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -15.56

InChIKey:
UMEOWJJBPXZFFR-UHFFFAOYSA-N

ID: 101831

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.509

InChIKey:
XAJXLANJASZEBB-UHFFFAOYSA-N

ID: 101832

SMILES:
C1=C(C)CCC(C(C)=C)C1c1c(C)cc(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.175

InChIKey:
GJXWWWKLUZSVGM-UHFFFAOYSA-N

ID: 101833

SMILES:
C(C)CCCc1ccc(O)c(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.615

InChIKey:
CRXGOYTUACLVFE-UHFFFAOYSA-N

ID: 101834

SMILES:
C(C1CCC(C)C12Oc1cc(CCCCC)cc(O)c12)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.947

InChIKey:
IRCHGHBRYKJIGW-UHFFFAOYSA-N

ID: 101835

SMILES:
C12(C)Oc3cc(C)cc(O)c3C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.307

CB1 binding score: -19.722

InChIKey:
JTHBMMWBTWDAFK-UHFFFAOYSA-N

ID: 101836

SMILES:
Cc1cc2c(c(OC)c1)C=CC(C)(CCC=C(C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.372

InChIKey:
VRVBUCRQGHWYCT-UHFFFAOYSA-N

ID: 101837

SMILES:
OC1C(O)C(C)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 280.364

CB1 binding score: -14.904

InChIKey:
QRLLTLGWQOPBLM-UHFFFAOYSA-N

ID: 101838

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(CCC=CC(C)(C)O)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -14.854

InChIKey:
UXLXXCLHULMRLD-UHFFFAOYSA-N

ID: 101839

SMILES:
O(c1cc(C2C=C(C)CCC2C(C)=C)c(OC)cc1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.814

InChIKey:
OFJSDHLGLZNWGY-UHFFFAOYSA-N

ID: 101840

SMILES:
C=C(C1CCC(C)=CC1c1c(OC)cc(OC)c(CC=C(C)CCC=C(C)C)c1O)C(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -15.204

InChIKey:
VTWKKGMMRJRSBC-UHFFFAOYSA-N

ID: 101841

SMILES:
C1C(C)=CC(c2c(O)cc(C)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 101842

SMILES:
c1c2c(c(CCCCC)cc1)OC(C)(C)C1CC(O)C(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.19

InChIKey:
NYCLMNUPSGKNRZ-UHFFFAOYSA-N

ID: 101843

SMILES:
C(Oc1c(CC=C(C)CCC=C(C)C)cc2c(c1)OC(C)(C)C1CCC(C)=CC12)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.653

CB1 binding score: -15.116

InChIKey:
ITVTXNMFQQSUOY-UHFFFAOYSA-N

ID: 101844

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.077

InChIKey:
ZIKXLTXYADKTKX-UHFFFAOYSA-N

ID: 101845

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCC)cc2O)C(C(=O)O)C(C)(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -17.387

InChIKey:
XUVWIIRPPVCHQP-UHFFFAOYSA-N

ID: 101846

SMILES:
C1(C(C)=C)CCC(CO)=CC1c1c(O)c(CC=C(CCCC(C)(C)O)C)c(O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -15.111

InChIKey:
NBQCWCQIBKHLDA-UHFFFAOYSA-N

ID: 101847

SMILES:
C(OC(C)(c1cc(OC(=O)C)c2c(c1)CC(O)C(C)(C)O2)CCCCC)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.509

CB1 binding score: -14.858

InChIKey:
GGABFJQRIGKGSE-UHFFFAOYSA-N

ID: 101848

SMILES:
CC1(C)C2CC=C(C)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 101849

SMILES:
CC1(C)C(O)C(C=C(C)C)Oc2cc(CCCCC)cc(OC)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -13.842

InChIKey:
LMQRXTUMOFYJFB-UHFFFAOYSA-N

ID: 101850

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 398.631

CB1 binding score: -18.943

InChIKey:
QOVOSRUONCHPIN-UHFFFAOYSA-N

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101830–101850 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