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Molecule Identifiers
Molecular Properties

ID: 106639

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2OC)C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.148

InChIKey:
ABJRVIIXYLGUAC-UHFFFAOYSA-N

ID: 106640

SMILES:
CC(CCc1c(OC)c(C)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -14.765

InChIKey:
CAKXDDVMUNUOLH-UHFFFAOYSA-N

ID: 106641

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 106642

SMILES:
CC1=CC(c2cc(CO)ccc2O)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.895

InChIKey:
JCJCYXYHJVNYGW-UHFFFAOYSA-N

ID: 106643

SMILES:
O(C1(OC)CC(C(=C)C)CC=C1C)c1c(OC)cc(CCCCC)cc1OC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -14.922

InChIKey:
SRAGMUZCYDGYBG-UHFFFAOYSA-N

ID: 106644

SMILES:
c1c(O)c2c(cc1CCCCC)OC(CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 106645

SMILES:
C12=C(C)CCC1C(C=CC=C(C)C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -11.459

InChIKey:
JBAXZAICAZTRBU-UHFFFAOYSA-N

ID: 106646

SMILES:
OC12c3c(O)cc(CCC)cc3OC(C)(C1)CCC2C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -14.239

InChIKey:
OFKYKACFBCIBBY-UHFFFAOYSA-N

ID: 106647

SMILES:
C(=O)(C)CCCc1cc2c(c(O)c1)C1C(CCC(C)=CC(O)C2)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.988

InChIKey:
GTURBEMLWRKCFY-UHFFFAOYSA-N

ID: 106648

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.407

InChIKey:
KMNCFRMRSWZKMQ-UHFFFAOYSA-N

ID: 106649

SMILES:
C1(c2c(O)cc(CCCCC)cc2OC)C(C(C)C)CCC(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.528

CB1 binding score: -18.883

InChIKey:
KKBNGEMFBFEYQN-UHFFFAOYSA-N

ID: 106650

SMILES:
C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 106651

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 106652

SMILES:
CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 106653

SMILES:
O(c1c(O)c(C)c(C2C=C(C)CCC2C(C)=C)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.036

InChIKey:
VJVSAUGSVUDPEW-UHFFFAOYSA-N

ID: 106654

SMILES:
c1(O)c(CC=C(C)C)c(O)cc(CCCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -18.06

InChIKey:
DUNLYOQOJQUZRD-UHFFFAOYSA-N

ID: 106655

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.945

InChIKey:
BMHWBDFIQAZUEO-UHFFFAOYSA-N

ID: 106656

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)C1C(C(CCC=C(C)CO)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.717

CB1 binding score: -16.502

InChIKey:
WNVPOZSZJBSAPJ-UHFFFAOYSA-N

ID: 106657

SMILES:
C(C)(OC1C(C)=C2CCC3(C)Oc4cc(CCCCC)cc(O)c4C(OC3OC(C)C(C=C)=CC2)(C)C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 524.698

CB1 binding score: -15.396

InChIKey:
SRRLXNDGIWFANR-UHFFFAOYSA-N

ID: 106658

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.622

CB1 binding score: -15.4

InChIKey:
DLUJCXLICWIGEP-UHFFFAOYSA-N

ID: 106659

SMILES:
OC1=CC2C3(CC1C)Oc1c(c(O)c(CCCCC)cc1O)CC(C(C)(O)C)C2OC3=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.54

CB1 binding score: -13.524

InChIKey:
BZDMJRUIOBNUFN-UHFFFAOYSA-N

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106639–106659 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