Skip to main content
Ingredients

(3s,5r,8r,9r,10s,14s)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1h-cyclopenta[a]phenanthrene-15,16-dione

C22H30O4

Entity Type
Ingredients
Relation Groups
4
Relation Preview
24

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(3s,5r,8r,9r,10s,14s)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1h-cyclopenta[a]phenanthrene-15,16-dione
Molecular Formula
C22H30O4
Molecular Weight
No data
Canonical SMILES
CC1(C2CCC3(C(C2(CCC1O)C)C=CC4=C(C(=O)C(=O)C43C)O)C)C
Isomeric SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C=CC4=C(C(=O)C(=O)[C@]43C)O)C)(C)C)O
InChI
InChI=1S/C22H30O4/c1-19(2)13-8-11-21(4)14(20(13,3)10-9-15(19)23)7-6-12-16(24)17(25)18(26)22(12,21)5/h6-7,13-15,23-24H,8-11H2,1-5H3/t13-,14+,15-,20-,21+,22-/m0/s1
Oral Bioavailability
43.556
Drug Likeness
0.647
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient3 Herbs
02
白芍
Bai Shao / Radix Paeoniae Alba; Paeoniae Radix Alba
Bai ShaoRadix Paeoniae Alba; Paeoniae Radix Alba
03
赤芍
Chi Shao / Paeoniae Radix Rubra; Radix Paeoniae Rubra
Chi ShaoPaeoniae Radix Rubra; Radix Paeoniae Rubra