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Molecule Identifiers
Molecular Properties

ID: 134023

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 134024

SMILES:
C1(=O)C(C)=C(OC)C2(CC(C)C)Oc3cc(C)cc(O)c3C2C1CC(C)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -11.435

InChIKey:
SURYJXNFJBCEKY-UHFFFAOYSA-N

ID: 134025

SMILES:
CC1=CC(c2cc(CC=C(C)C)c(O)c(C=O)c2O)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -16.827

InChIKey:
LKZFGNXPIMGPEV-UHFFFAOYSA-N

ID: 134026

SMILES:
C1(C(C)C)CC(=O)C(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.971

InChIKey:
ZBNFBEZCFKBAGI-UHFFFAOYSA-N

ID: 134027

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.354

InChIKey:
OJTMRZHYTZMJKX-UHFFFAOYSA-N

ID: 134028

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -19.594

InChIKey:
GBBIYEKUPBZPNQ-UHFFFAOYSA-N

ID: 134029

SMILES:
CC1(C)C2C3(c4c(cc(CCCC)cc4O1)C=C(C)C3)C(O)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.381

InChIKey:
ZJGSYUBJLXNGSZ-UHFFFAOYSA-N

ID: 134030

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C23C=CC(C)=C4C(CC(C)C14C)C2(C)C3(C)Cl

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 427.028

CB1 binding score: -16.03

InChIKey:
NGXQPTZDTUPMCV-UHFFFAOYSA-N

ID: 134031

SMILES:
C1=C(C)CC2c3c(c(OC)ccc3CCCCC)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -12.853

InChIKey:
FJQBLHCBCQVQAV-UHFFFAOYSA-N

ID: 134032

SMILES:
C(CC(C)=CCc1c(O)cc(O)cc1C)C1C(C)=CCC(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -13.319

InChIKey:
ZLAIUTVINGMOKG-UHFFFAOYSA-N

ID: 134033

SMILES:
C(CCC=C(C)C)(=CCc1c(O)cc(CCC(OC)=O)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 332.44

CB1 binding score: -17.352

InChIKey:
FRJXFXPMYPZBBV-UHFFFAOYSA-N

ID: 134034

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 134035

SMILES:
C(COc1cc(CCCCC)cc2c1C1C(=C(C(=O)O)CCC1C(C)=C)O2)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.651

CB1 binding score: -14.24

InChIKey:
NVWOEINSYLRYAK-UHFFFAOYSA-N

ID: 134036

SMILES:
C(CCCC)Cc1cc(O)c(CC2C(C)(O)CCCC2(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.527

CB1 binding score: -14.414

InChIKey:
UVGLNIBVMDXISX-UHFFFAOYSA-N

ID: 134037

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(=C)CC1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.055

InChIKey:
AOYYFUGUUIRBML-UHFFFAOYSA-N

ID: 134038

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 301.43

CB1 binding score: -17.538

InChIKey:
OOXPUPGAYGGCGA-UHFFFAOYSA-N

ID: 134039

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(CO)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 134040

SMILES:
C1(C(C)=C)CC(O)C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.643

InChIKey:
PWLRPYHADKNHGN-UHFFFAOYSA-N

ID: 134041

SMILES:
c1(C)cc2c(cc1)C(C)(C)Oc1c-2cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -17.615

InChIKey:
NPXIWMRDZHDFSA-UHFFFAOYSA-N

ID: 134042

SMILES:
C1CCC(C)=C2Oc3cc(CCCCC)cc(O)c3C12C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -12.648

InChIKey:
WLKCHMKJWLZMCG-UHFFFAOYSA-N

ID: 134043

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2CCC(C)=C1)=CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -12.95

InChIKey:
DCDPENLXBUANGH-UHFFFAOYSA-N

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134023–134043 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