SCS-C007704

sartrocheliol H

Pathway: Terpenoids Superclass: Diterpenoids Class: Cembrane diterpenoids

Chemical Structure

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Source Information

Sarcophyton trocheliophorum (NA)

Kingdom Metazoa Phylum Cnidaria Class Anthozoa Order Malacalcyonacea Family Alcyoniidae Genus Sarcophyton Species Sarcophyton trocheliophorum

South China Sea · -20 m

DOI: 10.1002/cbdv.202503422 · Chemistry & Biodiversity

Drug-likeness (Lipinski Ro5)

Molecular Weight

318.5 Da

Threshold ≤ 500

ALogP

5.50

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (ALogP) — borderline drug-like

Chemical Properties

Molecular Formula:

C21H34O2

Molecular Weight:

318.5010 Da

SMILES:

COC(C)(C)/C1=C/C=C(\C)CC/C=C(\C)C/C=C/[C@@](C)(O)CC1

InChIKey:

                        KNSJHUOSXBXHRT-AJEPTYEMSA-N
                        
                    

InChI:

InChI=1S/C21H34O2/c1-17-9-7-10-18(2)12-13-19(20(3,4)23-6)14-16-21(5,22)15-8-11-17/h8-9,12-13,15,22H,7,10-11,14,16H2,1-6H3/b15-8+,17-9+,18-12+,19-13+/t21-/m1/s1

Calculated Properties

ALogP:

5.502 lipophilicity

TPSA:

29.46 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (0 aromatic)

Chiral Centers:

Fsp³:

0.6190 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007704

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Diterpenoids

NPClassifier Class:

Cembrane diterpenoids

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

No bioactivity data available for this compound.

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