Browse

Molecule Identifiers
Molecular Properties

ID: 63799

SMILES:
c1(CCCCCC)cc2c(c(OC)c1)C1C(CCC(COC(C)=O)=C1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -14.793

InChIKey:
ZMVXCAOWASNOKU-UHFFFAOYSA-N

ID: 63800

SMILES:
CC1(C)C2CC(O)C(C)=CC2c2c(cc(CCCCCCO)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -11.543

InChIKey:
YZBSXZVCDVGIAT-UHFFFAOYSA-N

ID: 63801

SMILES:
CC(=C)C1CCC(C)C=C1c1c(O)cc(CCCCCO)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.336

InChIKey:
JLMCZWWFJGATKB-UHFFFAOYSA-N

ID: 63802

SMILES:
c1(CCCCC)cc2c(c(O)c1C(O)=O)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 63803

SMILES:
C(=O)(O)C1=CC2C(CC1)C(C)(C)Oc1cc(COC)c(C(OC)=O)cc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.406

CB1 binding score: -13.204

InChIKey:
ONLBJERINCBJKQ-UHFFFAOYSA-N

ID: 63804

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(CC(C)C1C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -15.526

InChIKey:
ONUIKTBVZXIWHD-UHFFFAOYSA-N

ID: 63805

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

ID: 63806

SMILES:
CC(C1CC2C(C)(Oc3c(cc(CCCCC)cc3O)C2)CC1)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -14.354

InChIKey:
XMMMOLIPXHGNPR-UHFFFAOYSA-N

ID: 63807

SMILES:
C(CCCC)CCCc1cc(O)c2c(O)c(O)c3c(c2c1O)OC(C)(C)C1CCC(C)=CC31

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -13.522

InChIKey:
VKMIFBLGUNFJSQ-UHFFFAOYSA-N

ID: 63808

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1=CC3C(=C)CCC31C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -13.488

InChIKey:
ZWGWFZJGQIYCNJ-UHFFFAOYSA-N

ID: 63809

SMILES:
C1(c2cc(OC(C)=O)ccc2O)C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -17.142

InChIKey:
BOKSXUVCNMISJY-UHFFFAOYSA-N

ID: 63810

SMILES:
C1(C)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C2CC(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -15.052

InChIKey:
HNYALQZCSZMSKW-UHFFFAOYSA-N

ID: 63811

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 63812

SMILES:
CC(CCC=C(C)C)=CCc1c(O)c2c(cc1O)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -16.254

InChIKey:
XGGDUIGJWBZGBD-UHFFFAOYSA-N

ID: 63813

SMILES:
Oc1c(C2OCC(O)C(COC(C(=CCCC(C)CCO)C)=O)=C2)c(-c2cc3c(c(O)c2)C2C(C(C)(C)O3)CC=C(C)C2)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 648.793

CB1 binding score: -14.744

InChIKey:
KYMNSVNAFCSCRO-UHFFFAOYSA-N

ID: 63814

SMILES:
CC1=CCC(C(=C)C)C2c3c(O)cc(CCCCC)cc3C3(C(C)(CC2)CCC3C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.681

CB1 binding score: -13.538

InChIKey:
NEPDDBRFFQZWEI-UHFFFAOYSA-N

ID: 63815

SMILES:
C1(C)=CC(C)C2C(O1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.532

InChIKey:
GWOJJKNAWFZJAN-UHFFFAOYSA-N

ID: 63816

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1CC(C)(CCC1C(C)(C)O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.841

InChIKey:
UKPNRAMYBFBWKV-UHFFFAOYSA-N

ID: 63817

SMILES:
C1(C)(CC)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -14.256

InChIKey:
JKFYCVZWVYJWCQ-UHFFFAOYSA-N

ID: 63818

SMILES:
C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2OC(CCCCC)=O)CC(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.646

CB1 binding score: -16.71

InChIKey:
RILPPXAKWASESM-UHFFFAOYSA-N

ID: 63819

SMILES:
Oc1cc(CCCCC)ccc1C1(C)CCC(C(CC)C)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.474

CB1 binding score: -17.881

InChIKey:
PSQAMXDCAXJXKS-UHFFFAOYSA-N

3036303730383039304030413042
63799–63819 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