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Molecule Identifiers
Molecular Properties

ID: 48406

SMILES:
Oc1c(C(C(C)C)CCCC)c2c(c(C)c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -13.739

InChIKey:
KAZMTPYIFMTLNT-UHFFFAOYSA-N

ID: 48407

SMILES:
c1c(OCCc2cc(O)c(C3C(C(=C)C)CCC(C)=C3)c(O)c2)c2c(c(O)c1)C(=O)N(C(CCC(O)=O)=O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 535.593

CB1 binding score: -14.01

InChIKey:
RTHZALSIOBQYPV-UHFFFAOYSA-N

ID: 48408

SMILES:
C(CCC)c1cc(O)c2c(c1)OC(C)(C)C1OC1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.077

InChIKey:
JZJJBDNBPYJEQW-UHFFFAOYSA-N

ID: 48409

SMILES:
CC(C)=CC(=O)C1=C(O)C2=C(C(O)=C1C)OC(C)(C)C1C2C=C(C(OC)=O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.471

CB1 binding score: -16.425

InChIKey:
RTQRBMQQHRLZOP-UHFFFAOYSA-N

ID: 48410

SMILES:
C(Cc1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.481

CB1 binding score: -16.735

InChIKey:
SZBPWKALCAVPIQ-UHFFFAOYSA-N

ID: 48411

SMILES:
C(C=C(C)C)CC1(C)Oc2cc(OC)cc(CCCCC)c2CC1C(=O)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -13.58

InChIKey:
OWLLWEVFHXFTTD-UHFFFAOYSA-N

ID: 48412

SMILES:
CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17

InChIKey:
CGYHWLVCHKZQHO-UHFFFAOYSA-N

ID: 48413

SMILES:
C1(C)C2C(C=C(C)C=C2)c2c(O)cc(CCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -16.103

InChIKey:
KLNVNBFXYYHXRV-UHFFFAOYSA-N

ID: 48414

SMILES:
C12C(CC=C(C)C1)C(C)(C)Oc1c2ccc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -18.541

InChIKey:
DXDRGIVLXHOGHC-UHFFFAOYSA-N

ID: 48415

SMILES:
C1C2C(C(C(=O)OC)=CC1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.351

InChIKey:
DFQOIMWRLLJEHB-UHFFFAOYSA-N

ID: 48416

SMILES:
C12C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)C1CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.438

InChIKey:
SXPVBMXGXYUMFE-UHFFFAOYSA-N

ID: 48417

SMILES:
C(=C(C)CCC=C(C)C)CC=CC(Cc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1)C(CC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.788

CB1 binding score: -14.509

InChIKey:
JIMKUXGJKXBAPI-UHFFFAOYSA-N

ID: 48418

SMILES:
O(c1cc(CCCCC)ccc1C1C(C(C)C)CCC(C)=C1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.567

CB1 binding score: -16.48

InChIKey:
TZVMQCOGGFKHLK-UHFFFAOYSA-N

ID: 48419

SMILES:
C12C(c3c(cc(CCCCC)cc3O)OC1=O)OC(C)(C)C=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.705

InChIKey:
VOSAAXYEUYNSCB-UHFFFAOYSA-N

ID: 48420

SMILES:
c1(CCCCC)cc(O)c2c(c1O)OC1(C)C3C2(C(C)=CCC1=O)OCCO3

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.46

CB1 binding score: -12.632

InChIKey:
RXGRLJCNTNYYNH-UHFFFAOYSA-N

ID: 48421

SMILES:
CCCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.458

InChIKey:
LZFSGTNLAZDDKK-UHFFFAOYSA-N

ID: 48422

SMILES:
C(C)(=O)OC1C2C(c3c(cc(CCCCC)cc3)OC2(C)C)C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.461

InChIKey:
PTEJOYZKMGYJQQ-UHFFFAOYSA-N

ID: 48423

SMILES:
C1C2C=C(CO)COC2(C)Oc2cc(C)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.305

CB1 binding score: -14.693

InChIKey:
LICXLRWDWVBKTK-UHFFFAOYSA-N

ID: 48424

SMILES:
C1CC(C(C)C)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -17.749

InChIKey:
RYPNSSJHEQPCOF-UHFFFAOYSA-N

ID: 48425

SMILES:
c1(O)c2c(cc(O)c1C(=O)C(C)CCCC(C)C)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -14.879

InChIKey:
WCXFWYFEHAXBJM-UHFFFAOYSA-N

ID: 48426

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.378

InChIKey:
NPMGDCXXWBOCRO-UHFFFAOYSA-N

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48406–48426 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