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Molecule Identifiers
Molecular Properties

ID: 61048

SMILES:
CC1=CC2c3c(oc(C(=O)OC)c3)OC(C)(C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -14.424

InChIKey:
YKLNAHLIHHHRQR-UHFFFAOYSA-N

ID: 61049

SMILES:
c1(O)cc(CCO)cc(O)c1C1C=C(C)CCC1C(C)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -16.055

InChIKey:
ASCNQWLQTDUQDB-UHFFFAOYSA-N

ID: 61050

SMILES:
Oc1c2c(c(CCCCC)cc1O)OC(C)(C)C1CCC(C(=O)O)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -16.943

InChIKey:
WNHGVOUQQZDFGR-UHFFFAOYSA-N

ID: 61051

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C=CC(C)(C2)O1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.06

InChIKey:
CGHBTWJCJRQUET-UHFFFAOYSA-N

ID: 61052

SMILES:
c1(O)cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 61053

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.037

InChIKey:
WUDZOFOMCJWPRV-UHFFFAOYSA-N

ID: 61054

SMILES:
C1CC(C)(C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -19.22

InChIKey:
AHKIGVNVQSVNEP-UHFFFAOYSA-N

ID: 61055

SMILES:
C1(C(C)C)CC=C(C)C2=C1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -15.184

InChIKey:
QJCXBTQAOHUYSD-UHFFFAOYSA-N

ID: 61056

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 61057

SMILES:
c1(O)c2c(cc(C)c1)OC(C)(C)C1=C2C(C)CC(OC(C)=O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.304

InChIKey:
KKMRDRGBDMGNJR-UHFFFAOYSA-N

ID: 61058

SMILES:
Cc1c(C=O)c(O)c(OC)c(C2C=C(C)CCC2C(=C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -15.606

InChIKey:
MJVBGRISUDHHLJ-UHFFFAOYSA-N

ID: 61059

SMILES:
C(c1cc(O)c2c3c1OC(C)(C)C1C3CC=C(C)C1(C)C2)CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -14.394

InChIKey:
FUDOSHOTYDMNQN-UHFFFAOYSA-N

ID: 61060

SMILES:
c1(O)c2c(cc(C(O)CCCCC)c1)OC(C)(C)C1C(Cc3cc(C=O)c(O)c(O)c3C(C)C1)C(C)=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 508.655

CB1 binding score: -16.014

InChIKey:
FXGDRQDXAPNXOD-UHFFFAOYSA-N

ID: 61061

SMILES:
C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 61062

SMILES:
COc1c2c(cc(CCCCC)c1)OC1(C)C(C2)C(CCC=C(C)C)(C)C(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -13.324

InChIKey:
NJBMKRYCPMEMKE-UHFFFAOYSA-N

ID: 61063

SMILES:
c1(O)c2c(cc(C)c1)C1CC(CO)=CC(O)C1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -15.929

InChIKey:
RYLFMTUCGLRKRI-UHFFFAOYSA-N

ID: 61064

SMILES:
C12(CC(C(C)C)C(=O)C3OC31C)Oc1c(c(O)cc(CCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.047

InChIKey:
IZMHPABCMJTGCJ-UHFFFAOYSA-N

ID: 61065

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.562

CB1 binding score: -14.057

InChIKey:
USUFJRLDGASOCP-UHFFFAOYSA-N

ID: 61066

SMILES:
CC1=CC(O)CC(C)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -15.488

InChIKey:
DDSFZYZSSXRGCY-UHFFFAOYSA-N

ID: 61067

SMILES:
c1c(O)c(CC=C(CCC=C(C)C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 61068

SMILES:
O(C1C(O)C(O)(CO)CO1)c1c(CCCC)ccc2c1OC(C)(C)C1C2CC(=C)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.556

CB1 binding score: -15.806

InChIKey:
FSVDSSNEYIBLFL-UHFFFAOYSA-N

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61048–61068 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