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Molecule Identifiers
Molecular Properties

ID: 36835

SMILES:
CC(C)=CCCC1=CC(c2c(O)c(C=O)c(C)cc2O)C(C(C)=C)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -12.626

InChIKey:
HUNGXIUGCNIJBJ-UHFFFAOYSA-N

ID: 36836

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.849

CB1 binding score: -16.08

InChIKey:
IPWHOLQMDIJSTD-UHFFFAOYSA-N

ID: 36837

SMILES:
O=C(C)Oc1cc(CCCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(CO)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 632.75

CB1 binding score: -17.874

InChIKey:
DOBZKVLBDWNIIK-UHFFFAOYSA-N

ID: 36838

SMILES:
c1(O)c(CCCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.889

InChIKey:
UQZHCXRAKGTLRR-UHFFFAOYSA-N

ID: 36839

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 36840

SMILES:
O=c1ccc2c3c(cc(CCCCC)c2)OC(C)(C)C1CC3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -12.876

InChIKey:
JTZBDQPPRXMBRD-UHFFFAOYSA-N

ID: 36841

SMILES:
Oc1cc(CCCCC)cc(O)c1C1CC(C)(O)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.306

InChIKey:
SCWSGMRHTABSRY-UHFFFAOYSA-N

ID: 36842

SMILES:
C(CCC=C(C)C)(C=CCC(=CCc1c(O)c(C)cc(O)c1)C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.881

InChIKey:
XJGZQRUFAFFUAF-UHFFFAOYSA-N

ID: 36843

SMILES:
C1(C)=C2C(c3c(cc(CCCC)cc3O)OC2)CC(C(=O)OC)=CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -16.502

InChIKey:
RMVFPJHQMGDXCD-UHFFFAOYSA-N

ID: 36844

SMILES:
C(CCC)CCCCC=CCCCCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.777

CB1 binding score: -16.041

InChIKey:
KHGAHMFRBKZVPH-UHFFFAOYSA-N

ID: 36845

SMILES:
C(CC)CCc1c(C(=O)C)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.513

InChIKey:
SGCBTZURMUIZRZ-UHFFFAOYSA-N

ID: 36846

SMILES:
CC1=CC2C(CCC3(C)OC3CC1)C(C)(C)Oc1c2cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.519

InChIKey:
JUHAOWIGIKBRHV-UHFFFAOYSA-N

ID: 36847

SMILES:
c1(-c2ccc(OC)c(OC)c2)ccc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -15.307

InChIKey:
GYHQFYXOJNMMHW-UHFFFAOYSA-N

ID: 36848

SMILES:
COC(C1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.943

InChIKey:
CCMWHLPOQSRJEP-UHFFFAOYSA-N

ID: 36849

SMILES:
C1CC(C)(C)C2C(C)(C1)Oc1cc(O)cc(CCCCC)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -15.929

InChIKey:
JQQYMGLHSSKNCM-UHFFFAOYSA-N

ID: 36850

SMILES:
C(C1(C)Oc2cccc(C)c2CC1C(C)=C)(CC)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -16.778

InChIKey:
PSOWDDOGFGBUQF-UHFFFAOYSA-N

ID: 36851

SMILES:
c12c(c(CCC)cc(O)c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.875

InChIKey:
PFDCBICMWBRLAZ-UHFFFAOYSA-N

ID: 36852

SMILES:
CC1(C)Oc2c(c(OC3C(O)C(O)C(O)C(CO)O3)ccc2)C2C1CC1(C)C(O)CCC(=C)C1CC=C2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.658

CB1 binding score: -17.544

InChIKey:
XVCBAZORWLRUMC-UHFFFAOYSA-N

ID: 36853

SMILES:
O(C)C(c1ccc2c(c1)OC(C)(C)C1CC=C(C)CC21)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -17.147

InChIKey:
NMPJNKRSBQFGBZ-UHFFFAOYSA-N

ID: 36854

SMILES:
O=Cc1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -18.286

InChIKey:
NQFUEDHWQJVOKZ-UHFFFAOYSA-N

ID: 36855

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

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36835–36855 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