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Molecule Identifiers
Molecular Properties

ID: 103678

SMILES:
O=C(C)c1c(O)cc(C)c(C2C(C(=C)C)CCC(C)=C2)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.443

InChIKey:
XSAISAHLYLVKQX-UHFFFAOYSA-N

ID: 103679

SMILES:
O=C(CC=C(C)CCC=C(C)C)c1cc(CCCCC)cc(O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.721

InChIKey:
PFKDRVDCJUCUHB-UHFFFAOYSA-N

ID: 103680

SMILES:
C1(C)(C)C2CCC(=C)C1C2c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.872

InChIKey:
YRLMKWXBFCVJNS-UHFFFAOYSA-N

ID: 103681

SMILES:
C1(C)CCC(c2cc3c(cc2O)OC(C)(C)C2C3C=C(C)CC2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -13.631

InChIKey:
NBJZKHFVMDJIBZ-UHFFFAOYSA-N

ID: 103682

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C(O)CC(C)=CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.314

InChIKey:
GNLWSPJRSWLBNZ-UHFFFAOYSA-N

ID: 103683

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -18.717

InChIKey:
JEXJLYDVFFARRG-UHFFFAOYSA-N

ID: 103684

SMILES:
c1(O)c2c(c(OC)cc1CCCCC)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.914

InChIKey:
RXSPGUIYARUECV-UHFFFAOYSA-N

ID: 103685

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 103686

SMILES:
C1CC(C(C)=C)C(c2c(O)c(O)cc(CCC)c2)C1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -14.458

InChIKey:
HWPJYSBGFKUKAL-UHFFFAOYSA-N

ID: 103687

SMILES:
C1=CC(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 103688

SMILES:
C1(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C2C1(O)CC(O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.491

CB1 binding score: -15.519

InChIKey:
MOABAYXUUGJJIC-UHFFFAOYSA-N

ID: 103689

SMILES:
C1OC1(C1CCc2c(O)cc(CCCCCO)cc2O1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -13.974

InChIKey:
CSNZYDAKTDLOTK-UHFFFAOYSA-N

ID: 103690

SMILES:
CC(OC(=O)C)CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -14.687

InChIKey:
YXIHJUDRRPOBGZ-UHFFFAOYSA-N

ID: 103691

SMILES:
Oc1c(C(CC(=O)OCC)C)cc(O)c(C2C=C(C)CCC2C(C)=C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.085

InChIKey:
DNCZUAOBWYJRRM-UHFFFAOYSA-N

ID: 103692

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)C(=O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 103693

SMILES:
C1C2C(C)(C)Oc3c(C(=O)CC(C)C)c(C(=O)OC)cc(O)c3C(C2)C(O)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.503

CB1 binding score: -15.773

InChIKey:
SAWPGJHYROJTBV-UHFFFAOYSA-N

ID: 103694

SMILES:
C1(O)CC(C)=CC2C1C(C)(C)Oc1c2cc(C(=O)O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -14.546

InChIKey:
UUHZXBOFFZHUOS-UHFFFAOYSA-N

ID: 103695

SMILES:
c1(C2C=C(C)CCC2C(O)(C)C)c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.168

InChIKey:
BMEOABJGGIYLGA-UHFFFAOYSA-N

ID: 103696

SMILES:
C12C(CCO)(C)Oc3c(c(O)cc(C)c3)C(C1)C(C)(C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.551

InChIKey:
ZKFOACZMNMKLKC-UHFFFAOYSA-N

ID: 103697

SMILES:
c1(CCCC)ccc2c(c1)C1CC(C(=C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -14.461

InChIKey:
YTORYVODRBOWFK-UHFFFAOYSA-N

ID: 103698

SMILES:
C1CC(C)=CC(c2c(O)cc(O)cc2C(C)(C)C=C)C1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -12.69

InChIKey:
XDHLXEOIFQRVEH-UHFFFAOYSA-N

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103678–103698 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