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Molecule Identifiers
Molecular Properties

ID: 71569

SMILES:
Oc1cc(CC=C(C)CCC=C(C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.968

InChIKey:
RNKSQHRRYNTMIO-UHFFFAOYSA-N

ID: 71570

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 71571

SMILES:
c12oc(=O)c(CC(C(C)(C)O)O)cc1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -15.9

InChIKey:
XIKKWJRHOQJIHR-UHFFFAOYSA-N

ID: 71572

SMILES:
C(c1cc(-c2cc(CCCCC)ccc2)cc(O)c1C1C=C(C)CCC1C(C)=C)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.687

CB1 binding score: -16.428

InChIKey:
ANAKVMXYQQGFSW-UHFFFAOYSA-N

ID: 71573

SMILES:
C(Cc1c2c(c(O)c(C(C)(C)CCCC)c1)OC(C)(C)C1C2CC(C)CC1)(=O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -14.237

InChIKey:
FMCHUJXUEIYHBP-UHFFFAOYSA-N

ID: 71574

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 71575

SMILES:
OCC(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.088

InChIKey:
URPRHZRKYWBYEN-UHFFFAOYSA-N

ID: 71576

SMILES:
c12cc(O)c(O)cc1OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -20.544

InChIKey:
MBKJEOZJMBSFKH-UHFFFAOYSA-N

ID: 71577

SMILES:
COc1cc(CCCCC)c(-c2c(CC=C(C)C)c(O)cc3c2C2C(C(C)(C)O3)CC(C(=C)C)O2)c(CCC(OC)=O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 590.801

CB1 binding score: -14.004

InChIKey:
LUHYBGAKZPDBTQ-UHFFFAOYSA-N

ID: 71578

SMILES:
O1C23C(=C(C(CC)=O)C(c4c(OC)cc(CCCCC)cc4O)C2C=CC)C2OC(=O)C(=C)C2CC13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.612

CB1 binding score: -15.901

InChIKey:
RQYBZNRYOHPXAL-UHFFFAOYSA-N

ID: 71579

SMILES:
C(CCc1cc2c(c(C=O)c1O)OC(C)(C)C1C2CC(O)(C)C1O)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -13.495

InChIKey:
IVJBYJGJXIAAIM-UHFFFAOYSA-N

ID: 71580

SMILES:
CC(C)=CCCC(C)=CCc1cc(OC(=O)C)cc(C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.522

InChIKey:
PITQHPHVMREBJR-UHFFFAOYSA-N

ID: 71581

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)CC3C4=CC(C)C(=O)C(C)(C4)CCC312

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.69

CB1 binding score: -14.107

InChIKey:
QTOAGBNKBKDCDO-UHFFFAOYSA-N

ID: 71582

SMILES:
c1(O)c2c(cc(CCCCCC)c1)CC1CCC(C)=CCCC(C)(O)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -14.109

InChIKey:
FAQRDIJZVHEFLI-UHFFFAOYSA-N

ID: 71583

SMILES:
c12c(c(O)c(OC)cc1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.996

InChIKey:
YOJXVRSBFALZPJ-UHFFFAOYSA-N

ID: 71584

SMILES:
Cc1cc(O)c2c(c1)OC(CCC1C(C)=CCC(O)C1(C)C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -13.569

InChIKey:
SJPPOKDRFGZGDO-UHFFFAOYSA-N

ID: 71585

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 71586

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 71587

SMILES:
C1C(C)=CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.327

InChIKey:
WYZHXZAPHHLIGL-UHFFFAOYSA-N

ID: 71588

SMILES:
CC1(C)C2(C)Oc3c(c(O)cc(CCCCC)c3)C2CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -15.909

InChIKey:
XTAGQJZCVVFOEP-UHFFFAOYSA-N

ID: 71589

SMILES:
C(=CCO)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.173

InChIKey:
XQXHLTXVICMOLH-UHFFFAOYSA-N

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71569–71589 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