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Molecule Identifiers
Molecular Properties

ID: 131839

SMILES:
O=C1c2c(c(O)cc(CCCCC)c2)C2C(C)(C)C1CC=C(C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.865

InChIKey:
XBLRMUQLLXOUEF-UHFFFAOYSA-N

ID: 131840

SMILES:
CC(Oc1c(OC)c(O)c(C)c(OC)c1C1C(C(=C)C)CCC(C)=C1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -16.38

InChIKey:
INVSKDJLGJPWMS-UHFFFAOYSA-N

ID: 131841

SMILES:
C(CC)CCc1cc2c(c(OC)c1)C(CCC=C(C)C)(C)OC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.12

InChIKey:
VLALUCCSLAWAFO-UHFFFAOYSA-N

ID: 131842

SMILES:
C1C(C(CO)=C)C(c2c(O)c(OC)cc(CCCCC)c2)CC(C)C1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -15.203

InChIKey:
ZRCUXZNXUAOOHP-UHFFFAOYSA-N

ID: 131843

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C=C(CCC=C(C)CC1)C(=O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -14.612

InChIKey:
SCYNRXIPKWFELG-UHFFFAOYSA-N

ID: 131844

SMILES:
CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C(OC)C(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.539

InChIKey:
GZVCOVGYCVABOV-UHFFFAOYSA-N

ID: 131845

SMILES:
O1c2cc(CCCCCO)cc(O)c2C2C=C(C(O)=O)CCC2C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -13.865

InChIKey:
WQUBULMUBUIZHN-UHFFFAOYSA-N

ID: 131846

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 131847

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C(C)(C)O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -17.942

InChIKey:
PRKDRANYBPHDBW-UHFFFAOYSA-N

ID: 131848

SMILES:
C1(=O)C2C(CCC2C)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.758

InChIKey:
TYEKRAGYKRBCLJ-UHFFFAOYSA-N

ID: 131849

SMILES:
C1=C(C)CCC(C(C)=C)C1c1c(O)c(C(C)CC)cc(C(=O)C(C)=CC(C)=CC(C)O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.635

CB1 binding score: -15.375

InChIKey:
VBNNQGDKYVZZIF-UHFFFAOYSA-N

ID: 131850

SMILES:
c12c(cc(CCCCC)cc1OC)C1CC(C(=C)C)CC=C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.573

CB1 binding score: -15.01

InChIKey:
WDBHEAXANNJARV-UHFFFAOYSA-N

ID: 131851

SMILES:
C(Cc1cc2c(c(O)c1)C1C(C(=C)C)CCC1(C)CCC2C(C)(OC(C)=O)C)CCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.668

CB1 binding score: -15.072

InChIKey:
WGYKUVRASREQCM-UHFFFAOYSA-N

ID: 131852

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 131853

SMILES:
c12c(O)cc(CCCCC)cc1OC(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: 131854

SMILES:
C1(C(C)(C)O)C(c2cc(CCCC(C)C)ccc2O)C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -14.138

InChIKey:
FYKQMUGTLGIUFF-UHFFFAOYSA-N

ID: 131855

SMILES:
c1(CCCCC)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CC=C(CCC=C(C)C)C)c1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.734

CB1 binding score: -15.032

InChIKey:
ZRCJNQGRVIPOSO-UHFFFAOYSA-N

ID: 131856

SMILES:
c12cc(CCCCC)c(O)cc1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.041

InChIKey:
UMOQSYCBNIIJKH-UHFFFAOYSA-N

ID: 131857

SMILES:
O1C(=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.321

CB1 binding score: -18.153

InChIKey:
ZRXDWBHLDHDWJW-UHFFFAOYSA-N

ID: 131858

SMILES:
c1(OC)cc(OC)ccc1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.313

InChIKey:
UELGOYJTHIBECC-UHFFFAOYSA-N

ID: 131859

SMILES:
C(C)(C)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.254

InChIKey:
OUSVNSVSMXSSCG-UHFFFAOYSA-N

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131839–131859 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