LIPID MAPS

Structure Database (LMSD)

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Common Name

Millinol

Systematic Name

(3R)-7,2',4'-Trihydroxy-6-(1,1-dimethylallyl)isoflavan

Synonyms

LM ID

LMPK12080071

Formula

C₂₀H₂₂O₄

Exact Mass

Calculate m/z

326.15181

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Millettia (#53625)

Magnoliopsida (#3398)

Isoflavans from Millettia racemosa,
Phytochemistry, 1989

DOI: 10.1016/0031-9422(89)80141-4

String Representations

InChiKey (Click to copy)

WZKRLNSIPVUZHV-ZDUSSCGKSA-N

InChi (Click to copy)

InChI=1S/C20H22O4/c1-4-20(2,3)16-8-12-7-13(11-24-19(12)10-18(16)23)15-6-5-14(21)9-17(15)22/h4-6,8-10,13,21-23H,1,7,11H2,2-3H3/t13-/m0/s1

SMILES (Click to copy)

C1(O)=CC2OC[C@@H](C3C(O)=CC(O)=CC=3)CC=2C=C1C(C)(C)C=C

Other Databases

PubChem CID

14237674

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 3

Aromatic Rings 2

Rotatable Bonds 3

Van der Waals Molecular Volume 312.36

Topological Polar Surface Area 71.99

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 4.27

Molar Refractivity 93.53

Admin

Created at

13th Feb 2026

Updated at