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Molecule Identifiers
Molecular Properties

ID: 124804

SMILES:
CC(=CCC1C=C(Cc2cc(O)cc(O)c2C(=O)CC(C)C)CCC1C(C)=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -16.353

InChIKey:
KYWUCXWGEMZZIP-UHFFFAOYSA-N

ID: 124805

SMILES:
O1C(=O)C2(C3Cc4c(ccc(O)c4)OC(C)(C)C3CC2=O)C(C(O)CC(O)C(C)(C)O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.512

CB1 binding score: -13.996

InChIKey:
RYFNVZWFSNFNIL-UHFFFAOYSA-N

ID: 124806

SMILES:
C(CCc1cc(O)c(C2C(O)C(C)=CCC2C(=C)C)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: Not available

InChIKey:
LUCGUFOVLKSRNC-UHFFFAOYSA-N

ID: 124807

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C(C)(C)C1=C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -15.25

InChIKey:
XDLHDKAVNUXSHY-UHFFFAOYSA-N

ID: 124808

SMILES:
Clc1c(C)cc(O)c(CC=C(CC=CC(C)=C)C)c1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.833

CB1 binding score: -15.043

InChIKey:
RWQXEYLFWFRZPZ-UHFFFAOYSA-N

ID: 124809

SMILES:
C1C=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2(C)CCC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.669

CB1 binding score: -13.417

InChIKey:
RPXFUEZXIJRPSS-UHFFFAOYSA-N

ID: 124810

SMILES:
C123CCC(C)(C)C(C1=C1C(C=C2)C(C)(C)C3OC)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.609

CB1 binding score: -14.603

InChIKey:
ABVJCBLDTVBBKM-UHFFFAOYSA-N

ID: 124811

SMILES:
C(C1C(c2c(O)cc(CCCC)cc2O)CC(C)=CCCC1(C)O)(C(CCC=C(C)C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.667

CB1 binding score: -12.523

InChIKey:
RVVPBQGOZOMARB-UHFFFAOYSA-N

ID: 124812

SMILES:
c1(C=CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.504

InChIKey:
LRMCCKFMMDLVOO-UHFFFAOYSA-N

ID: 124813

SMILES:
C1OC1(C1CCC(C)=CC1c1c(O)cc(C(=O)OC)c(CCCCC)c1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.076

InChIKey:
VSWANTODQRPSCH-UHFFFAOYSA-N

ID: 124814

SMILES:
O=C(O)c1c2c(cc(O)c1CCCCC)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -14.981

InChIKey:
DQEYJKNPJVERGB-UHFFFAOYSA-N

ID: 124815

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.068

InChIKey:
CPZWKXRSBORARS-UHFFFAOYSA-N

ID: 124816

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 124817

SMILES:
c1(O)cc(CC=C(C)C)c(O)c(-c2cc(CCCCC)cc3c2OC(C)(C)c2cc(O)c(C)cc23)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.652

CB1 binding score: -16.502

InChIKey:
BUHYFANRAXNLGS-UHFFFAOYSA-N

ID: 124818

SMILES:
C(=C(C)C)CCC1(C)C2(Cc3c(O)cc(CCC)cc3O2)C(C(=O)O)C(OC)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.53

CB1 binding score: -16.62

InChIKey:
SNFBCZURWAJCOH-UHFFFAOYSA-N

ID: 124819

SMILES:
C1CC(C(=C)C)C(c2c(O)ccc(C(=O)OCCCC)c2)C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.553

InChIKey:
QCSHWPOZMVPXAQ-UHFFFAOYSA-N

ID: 124820

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c1c2c(O)cc3CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.777

InChIKey:
QXHSYMQEYYPHRA-UHFFFAOYSA-N

ID: 124821

SMILES:
CC1(C)Oc2c(cc(C)c(CCCC(C)(C)O)c2C(=O)O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -16.059

InChIKey:
JQRYCCOQVDHMIW-UHFFFAOYSA-N

ID: 124822

SMILES:
Oc1cc(C)cc(O)c1C1C(C(C)=C)CCC2(C)C1CC(O)C(CO)=CC2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -14.99

InChIKey:
HXWOMTKPKCMLEY-UHFFFAOYSA-N

ID: 124823

SMILES:
c12c(C(C)C)ccc(C)c1C1C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.583

CB1 binding score: -15.12

InChIKey:
PCCGLQHPZXUWPE-UHFFFAOYSA-N

ID: 124824

SMILES:
c12c(cccc1CCCO)C=CC(C)(CCc1cc(O)c(C3C=C(C)CCC3C(C)=C)c(O)c1)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.68

CB1 binding score: -15.434

InChIKey:
OWHUGGKFBJGJPW-UHFFFAOYSA-N

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124804–124824 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