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Molecule Identifiers
Molecular Properties

ID: 91750

SMILES:
C(=O)(C(=C)C)c1c(O)c(C=O)c2c(c1OC)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.445

CB1 binding score: -14.738

InChIKey:
QUISEBRHJIGYSR-UHFFFAOYSA-N

ID: 91751

SMILES:
C(CCCC)CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.687

InChIKey:
RGXKCMQANRHRCO-UHFFFAOYSA-N

ID: 91752

SMILES:
C1C2OC2(C)CCC2C(C)(C)Oc3c(c(O)cc(O)c3C(=O)C=C(C)CC)C2CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -13.217

InChIKey:
GUHYRQNEZKDJPX-UHFFFAOYSA-N

ID: 91753

SMILES:
C1(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 91754

SMILES:
c1(CC=C(C)CCC=C(CCC=C(C)C)C)cc(OC(=O)C)c2c(c1)OCO2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -15.87

InChIKey:
OIIFZPUTDQOOEF-UHFFFAOYSA-N

ID: 91755

SMILES:
C(C=C(C)C)CC1(C)C=Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 91756

SMILES:
c1(CCCC(CCCC2(C)Oc3c(c(O)cc(C)c3)C2)C)CCC(=O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.848

InChIKey:
AIIGMDPVBFOYKF-UHFFFAOYSA-N

ID: 91757

SMILES:
c1c(CCCC)c(O)cc2c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.388

InChIKey:
LFDBLCTWEXYUKP-UHFFFAOYSA-N

ID: 91758

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -16.688

InChIKey:
AQOYYYXONBJKLT-UHFFFAOYSA-N

ID: 91759

SMILES:
c1(O)c2c(ccc1)OC(C)(C)C(O)CC1C(=C)CCC(C1)C2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.826

InChIKey:
ZNFXZUIRWSDNTD-UHFFFAOYSA-N

ID: 91760

SMILES:
C(Cc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -17.209

InChIKey:
VPDBCGRUZCACNK-UHFFFAOYSA-N

ID: 91761

SMILES:
C1(=C(C)C)C(=O)CC(C)=CC1c1c(O)cc(CCCCC)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -13.695

InChIKey:
CRGIUBZQVPYUOU-UHFFFAOYSA-N

ID: 91762

SMILES:
C1CC(C)CC2C1C(C)(C)Oc1c2c(O)cc(CCCOC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.05

InChIKey:
ZCBKNVAUAVKNLL-UHFFFAOYSA-N

ID: 91763

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -19.106

InChIKey:
DEWSJDIJFWQLOA-UHFFFAOYSA-N

ID: 91764

SMILES:
OC(Cc1cc(O)c(CC=C(C)CCC=C(CCC=C(C)C)C)c(O)c1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 372.505

CB1 binding score: -17.443

InChIKey:
DVKQDVPBGLVMDY-UHFFFAOYSA-N

ID: 91765

SMILES:
C1=C(C)C2(Oc3c(c(O)cc(CCCCC)c3)C2)C2(C)CCC(C(C)=C)OC2=C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -13.142

InChIKey:
XEOQWTDIKPTXII-UHFFFAOYSA-N

ID: 91766

SMILES:
CC1=CCC(C(C)Cc2c(C(O)C(C)O)cc(O)c(CC=C(CCC=C(C)C)C)c2O)OC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.622

CB1 binding score: -16.524

InChIKey:
GDJPMRIJIKBYFS-UHFFFAOYSA-N

ID: 91767

SMILES:
CC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)CC=CC(=C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.106

InChIKey:
AQMXWTAMPOFDLJ-UHFFFAOYSA-N

ID: 91768

SMILES:
c1c(CCCCC)cc2c(c1O)C1=C(C=CC(C)(C)O1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.137

InChIKey:
QRZCAPVHHRUBAP-UHFFFAOYSA-N

ID: 91769

SMILES:
CC(O)(C1Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.394

InChIKey:
DIBQXMLSVBFRTF-UHFFFAOYSA-N

ID: 91770

SMILES:
c12c(c(O)c(CC=C(CCC=C(C)C)C)c(O)c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -16.841

InChIKey:
HMXZYHSYEFISFP-UHFFFAOYSA-N

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91750–91770 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