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Molecule Identifiers
Molecular Properties

ID: 125287

SMILES:
C1(C(=C)C)CCC(C)=CC1c1c(O)cc(CCc2ccc(O)cc2)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.512

CB1 binding score: -17.568

InChIKey:
IBCCEYLITPPYSY-UHFFFAOYSA-N

ID: 125288

SMILES:
COc1c(O)c2c(cc1C(C)C)C1C(C(C)(C)Oc3cc(C)cc(O)c31)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -16.216

InChIKey:
XMHKWEIMCQJNPH-UHFFFAOYSA-N

ID: 125289

SMILES:
C1(CCC=C(C)C)(C)Oc2c(c(O)cc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.758

InChIKey:
BBSLEQVLKFGGIE-UHFFFAOYSA-N

ID: 125290

SMILES:
CC(CCC=C(C)C)C1C(c2c(O)ccc(CCCCC)c2)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.605

CB1 binding score: -15.929

InChIKey:
ZIZSEKAHBKBDRF-UHFFFAOYSA-N

ID: 125291

SMILES:
c1(O)c2c(c3c(c1)ccc(O)c3)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.393

CB1 binding score: -14.784

InChIKey:
FEMPWYGABFWQHB-UHFFFAOYSA-N

ID: 125292

SMILES:
C(CCc1c(O)cc(C2C=C(C)C(O)CC2C(C)=C)o1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -14.153

InChIKey:
NNLBMSDFLKLWJD-UHFFFAOYSA-N

ID: 125293

SMILES:
Cc1c(OC)cc(O)c2c1C(=O)C=C1C(C)OC(C)(C)C(O)(CCC(C)CC)C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: Not available

InChIKey:
GAKJEDMNVHOGSN-UHFFFAOYSA-N

ID: 125294

SMILES:
Oc1cc(CCCCC)cc2c1C1C(=C(C)CCC3C1(C)CC=C(C(C)=C)C3C)C(=C(C)C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.713

CB1 binding score: -15.37

InChIKey:
KXKFYJKEABHANI-UHFFFAOYSA-N

ID: 125295

SMILES:
c12c(O)c(OC)c(C=NCCC(O)=O)cc1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 373.449

CB1 binding score: -17.81

InChIKey:
WRMFIWNYOZVTOR-UHFFFAOYSA-N

ID: 125296

SMILES:
C1(O)=C(C)CC2C(C1)C(C)(C)Oc1cc(CCCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.041

InChIKey:
VPNOWCNQRVYGGU-UHFFFAOYSA-N

ID: 125297

SMILES:
O(C)c1cc(CCCCC)cc2c1C1C=C(C)C(CC=C(C)C)CC1(C)CC(O)CC2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.68

CB1 binding score: -16.716

InChIKey:
PITRMZQLDNFKCH-UHFFFAOYSA-N

ID: 125298

SMILES:
COc1c(O)c2c(cc1CCC)OC(C)(C)C1=C2C(=O)C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -14.484

InChIKey:
GQSHRTRFFKVKOP-UHFFFAOYSA-N

ID: 125299

SMILES:
CC(C)=CCc1c(O)cc(CCCCC)cc1OC(=O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -18.614

InChIKey:
RTFRSXSQUQOXEP-UHFFFAOYSA-N

ID: 125300

SMILES:
C1(OC(C)=O)CC2C(C)(C)Oc3cc(CCC(CC)C)c(O)c(c31)C(O)CC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.547

CB1 binding score: -15.62

InChIKey:
IWZWFNGWAQJQCL-UHFFFAOYSA-N

ID: 125301

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -17.728

InChIKey:
KHLGJPCISFQMLG-UHFFFAOYSA-N

ID: 125302

SMILES:
C(C)=C(C)C(=O)OC1C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C(=O)C21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -14.339

InChIKey:
MVTTXBZMIBRPID-UHFFFAOYSA-N

ID: 125303

SMILES:
C1CC2(C)Oc3cc(CCCCC)cc(O)c3C2C2C1(C)CCC2C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -15.91

InChIKey:
TYRNGUQDDXEYPL-UHFFFAOYSA-N

ID: 125304

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.969

InChIKey:
NPPHBVFNDGBAJA-UHFFFAOYSA-N

ID: 125305

SMILES:
C1C(O)(C(C)=C)C=C(C(C)=C)CCC2(C)Oc3cc(C)cc(O)c3C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: Not available

InChIKey:
GTWAHXNCMREMJE-UHFFFAOYSA-N

ID: 125306

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 125307

SMILES:
c1(O)cc(C)c2c(c1CCCC(C)C)CC(C)(Cl)C(CC=C(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.985

CB1 binding score: -17.507

InChIKey:
VUJAKLYRRNAWML-UHFFFAOYSA-N

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125287–125307 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