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Molecule Identifiers
Molecular Properties

ID: 106618

SMILES:
CC(=CCCC(C)=CCc1cc(O)c2c(c1)OC(C)(C)C(=O)C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.813

InChIKey:
HOKPNCYRRIYMIH-UHFFFAOYSA-N

ID: 106619

SMILES:
C1(C(C)C)(O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.686

InChIKey:
JXLOXQRGEOZDJN-UHFFFAOYSA-N

ID: 106620

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 106621

SMILES:
c12c(cc(CC(c3c(OC)c(O)cc(C)c3)cc1C)C)cc(CCCC(C)C)cc2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.594

CB1 binding score: -15.929

InChIKey:
OJGIFKMZNJUUAC-UHFFFAOYSA-N

ID: 106622

SMILES:
C(Cc1c(O)c(C2C(C(=C)C)CC(O)C(C)=C2)c(O)cc1C)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.519

InChIKey:
JOJSDKIOMXEGSO-UHFFFAOYSA-N

ID: 106623

SMILES:
C1(c2c(O)cc(O)cc2C2C(C(C)=C)CCC(C)=C2)C(C)CO1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -14.074

InChIKey:
GYHGTNZHNHMOFR-UHFFFAOYSA-N

ID: 106624

SMILES:
C=CCc1c(O)c(C2C=C(C)CCC2C(C)=C)cc(O)c1CC=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.637

CB1 binding score: Not available

InChIKey:
IDQSHXGATIXUGM-UHFFFAOYSA-N

ID: 106625

SMILES:
C1(=C)C2C(CC(C)C1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.812

InChIKey:
PKIOELPLIHLAAX-UHFFFAOYSA-N

ID: 106626

SMILES:
Oc1cc(C)cc2c1CC1C(C2)C(C)(C)Oc2cc(C)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.42

CB1 binding score: -14.553

InChIKey:
MHRAJJCQBRVOHQ-UHFFFAOYSA-N

ID: 106627

SMILES:
C1(C)(C)OC2=C(C(=O)c3ccc(O)c(O)c3)CC(O)C(CCCCC)=CC2C1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -13.03

InChIKey:
PDNZZBIWNOYVIL-UHFFFAOYSA-N

ID: 106628

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.385

InChIKey:
YYLPAYRRVSQJRR-UHFFFAOYSA-N

ID: 106629

SMILES:
C(CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 106630

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 106631

SMILES:
C(CCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -17.63

InChIKey:
ARJMGPYESKTTEO-UHFFFAOYSA-N

ID: 106632

SMILES:
O=C(OC)c1c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.62

InChIKey:
JHXJZUXHWLTPGQ-UHFFFAOYSA-N

ID: 106633

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C)CCC2(O)C(C)C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.823

InChIKey:
ZWCMPYBKQPIVCH-UHFFFAOYSA-N

ID: 106634

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C(=CCCC(CC)CC(C)C(C(C)c1ccoc1)OC)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 590.889

CB1 binding score: -15.276

InChIKey:
FABLUPMEJSVNPH-UHFFFAOYSA-N

ID: 106635

SMILES:
COc1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 106636

SMILES:
C1(C)=CC2C(C(C)(C)Oc3cc(C)c(O)cc32)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.623

InChIKey:
MUNXTPXTGBOZLU-UHFFFAOYSA-N

ID: 106637

SMILES:
c12cc(CCCCC)cc(OC)c1OC(C)(C)C1C(=CC(C)=CC1)C2O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -13.477

InChIKey:
CIWPMAGZEZSORE-UHFFFAOYSA-N

ID: 106638

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

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106618–106638 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