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Molecule Identifiers
Molecular Properties

ID: 48259

SMILES:
C(CC)CCc1c(C(=O)O)c(O)c(CC=C(CCC=C(C)C)C)c(O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -17.138

InChIKey:
BZHWTNCHQIQETM-UHFFFAOYSA-N

ID: 48260

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.454

InChIKey:
AXEVFBMIKLHKQY-UHFFFAOYSA-N

ID: 48261

SMILES:
c1(O)c(CC=C(CCC=C(CCC(O)C(C)(C)O)C)C)cc(O)c2c1OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 498.704

CB1 binding score: -15.337

InChIKey:
KJTJINBPZNTRMW-UHFFFAOYSA-N

ID: 48262

SMILES:
C1(C)(C)Oc2cc(O)c(C3C=C(C)CCC3C(=C)C)c(C)c2Oc2c1ccc(O)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.522

CB1 binding score: -13.32

InChIKey:
KZZHXVHLYNEHMY-UHFFFAOYSA-N

ID: 48263

SMILES:
Cc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.619

InChIKey:
MMZAEMNNHWYQKW-UHFFFAOYSA-N

ID: 48264

SMILES:
C1(=C)C2OC(C)(C)C3C(c4c(O)cc(CCCCC)cc41)C3C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.693

InChIKey:
XVHNGNIVPSLPCG-UHFFFAOYSA-N

ID: 48265

SMILES:
C(=C(CCC=C(C)C)C)Cc1c(O)c(Cc2c(O)cc(CCCCC)cc2O)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.608

CB1 binding score: -15.808

InChIKey:
UPUSFSOEFLBQHG-UHFFFAOYSA-N

ID: 48266

SMILES:
Oc1cc(CCCC)ccc1C1OC2=CCC3C(C)(C1)C(CC=C(C)C)CC(COC(C)=O)(C)C32

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.689

CB1 binding score: -13.954

InChIKey:
FRFBJOXDWASLOT-UHFFFAOYSA-N

ID: 48267

SMILES:
C(C)(C)=CCCC(C)=CCc1c(O)c2c(c(C(CCc3ccccc3)=O)c1O)OC(C)(C)C1C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.749

CB1 binding score: -11.942

InChIKey:
TVBXJIKWQVLMNT-UHFFFAOYSA-N

ID: 48268

SMILES:
C(c1c(CCCCC)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2)(OCC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.055

InChIKey:
UCYDTYXPGWNPBI-UHFFFAOYSA-N

ID: 48269

SMILES:
C(CCC1(C)Oc2c(cc(OC)c(CCCCC)c2)C=C1)CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -13.88

InChIKey:
KQLSGKBMHUNBRT-UHFFFAOYSA-N

ID: 48270

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C(OC)=O)=C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.912

InChIKey:
IYOBPRHEKPOJOE-UHFFFAOYSA-N

ID: 48271

SMILES:
O(c1cc(CCCCCC)cc(O)c1CC=C(C)C)C(=O)CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -15.104

InChIKey:
FDWNFYYXXAVUIR-UHFFFAOYSA-N

ID: 48272

SMILES:
O1c2c(cc(CCC(C=C)(C)C)c3c2CC(C(C)(C)O)O3)CC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.055

InChIKey:
UUUYLJFBXUOIFY-UHFFFAOYSA-N

ID: 48273

SMILES:
c1cc2c3c(c1)C(C)(CCC=C(C)C)OC3C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.047

InChIKey:
CDOXYBFJYCNPFJ-UHFFFAOYSA-N

ID: 48274

SMILES:
c12c(OC)cc(CCCCCO)cc1OC(C)(C)c1c2c(O)c2c(c1)CC(C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -16.929

InChIKey:
UDTCTSPERGUQMA-UHFFFAOYSA-N

ID: 48275

SMILES:
CC(C)=CCCC1(C)Oc2cc(CCCCC)c(C(O)=O)cc2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.718

InChIKey:
BEMDFPISFCAMPJ-UHFFFAOYSA-N

ID: 48276

SMILES:
COc1c2c(c(C(C=C)(C)CCC=C(C)C)cc1C)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.626

CB1 binding score: -12.001

InChIKey:
AZPHKUPUTRIGEC-UHFFFAOYSA-N

ID: 48277

SMILES:
CCCCc1cc2c(c(O)c1)C1C(CCC(O)(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.488

InChIKey:
SHKSNSDRGOBIPR-UHFFFAOYSA-N

ID: 48278

SMILES:
O(c1c(O)c2c(cc1C)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.605

InChIKey:
VDMBWSOUBMFUFN-UHFFFAOYSA-N

ID: 48279

SMILES:
CC1C(C(OCC(C)=CCCC(C)=CCc2cc(O)cc(CC(O)C)c2)(C)O)(C)CCC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.639

CB1 binding score: -14.076

InChIKey:
QTYXEOFNOJXLAF-UHFFFAOYSA-N

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48259–48279 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