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Molecule Identifiers
Molecular Properties

ID: 127723

SMILES:
C1(C)=C(CCC(C)=CCCC2(C)C=Cc3cc(O)cc(C)c3O2)C(C)=CCC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.583

CB1 binding score: -15.995

InChIKey:
VHSGVXNZDLAFRY-UHFFFAOYSA-N

ID: 127724

SMILES:
Cc1c(O)c(C2C(C(CO)=C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.799

InChIKey:
QXBAECYXTPTOSY-UHFFFAOYSA-N

ID: 127725

SMILES:
C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C=O)=CC1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.911

InChIKey:
CSRFMQIZUSNKJT-UHFFFAOYSA-N

ID: 127726

SMILES:
c12cc(CCCCC)cc(O)c1C1C=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: 127727

SMILES:
C1CC(C)CC(c2c(O)cc(CCC)cc2O)C1C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -19.319

InChIKey:
VNFNICPIQJPBJY-UHFFFAOYSA-N

ID: 127728

SMILES:
c1(CCc2cocc2)c2c(cc(CCCCC)c1)OC(C)(C)C1CC(O)C(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -14.304

InChIKey:
KVNSLCJPSXUTLU-UHFFFAOYSA-N

ID: 127729

SMILES:
CC(C)(C(OCC)=O)C1C(c2c(O)cc(O)cc2CC=C(C)C)CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -13.292

InChIKey:
SZNBZUGXHQKYKY-UHFFFAOYSA-N

ID: 127730

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.557

CB1 binding score: -13.287

InChIKey:
YSHVAXFZSGLZMH-UHFFFAOYSA-N

ID: 127731

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 127732

SMILES:
C1(C)(C)C2CC(O)C(C)=CC2c2c(C)ccc(CCCCC)c2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.156

InChIKey:
IGBWVKJFINURKW-UHFFFAOYSA-N

ID: 127733

SMILES:
C(C)(COC1CC(C(C)(O)C)CC1O)=CCCC(C)=CCc1cc(O)c(C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.574

CB1 binding score: -13.939

InChIKey:
GCELLVLXILBPBU-UHFFFAOYSA-N

ID: 127734

SMILES:
C1C(CO)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 127735

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.286

InChIKey:
VBGLQLUQKZRKHZ-UHFFFAOYSA-N

ID: 127736

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 127737

SMILES:
C1CC(C)(C)Oc2c1c1c(oc(=O)cc1CCCCCC)C=C(C)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.976

InChIKey:
WJDRAKKXAWGAKI-UHFFFAOYSA-N

ID: 127738

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 127739

SMILES:
CC1=CC(c2cc(CCCCC)cc(O)c2OC)C(C(C)(C)O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: Not available

InChIKey:
AMWRRWLFHTWRDS-UHFFFAOYSA-N

ID: 127740

SMILES:
C(CC)CCc1cc(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: 127741

SMILES:
c1(CC=C(C)CCC=C(COC(C)=O)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -16.179

InChIKey:
ABEWTQQDVRBMMF-UHFFFAOYSA-N

ID: 127742

SMILES:
Oc1c(C2C(C(=C)C=O)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.393

InChIKey:
FRMGXHQCAWNSFJ-UHFFFAOYSA-N

ID: 127743

SMILES:
C=Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -18.09

InChIKey:
MOGXJOHEBSGEPO-UHFFFAOYSA-N

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127723–127743 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