Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17982
- Core Entity Id
- 23164
- Source Entity Count
- 1
- Preferred Name
- Eltanolone
- Name En
- Pubchem Id
- 31402
- Smiles Canonical
- CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
- Molecular Formula
- C21H34O2
- Molecular Weight
- 318.5010
- Inchikey
- AURFZBICLPNKBZ-YZRLXODZSA-N
- Inchi
- InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1
- Isomeric Smiles
- CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
- Cas Id
- 128-20-1
- Ob Score
- 14.3338
- Mol Logp
- 4.5952
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7670
- Polar Surface Area
- 37.0000
- Molecular Volume
- 242.0000
- Alogp
- 4.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eltanolone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
ELTANOLONE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ELTANOLONE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Eltanolone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Eltanolone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eltanolone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(3alpha,5beta)-3-hydroxypregnan-20-one
Role
alias
Source
TCMBank
Preferred
No
Name
1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Role
alias
Source
TCMBank
Preferred
No
Name
128-20-1
Role
alias
Source
TCMBank
Preferred
No
Name
128-20-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
128-20-1
Role
alias
Source
HERB_v2
Preferred
No
Name
3.alpha.,5.beta.-Epimeric pregnanolone
Role
alias
Source
TCMBank
Preferred
No
Name
3.alpha.-Hydroxy-5.beta.-tetrahydroprogesterone
Role
alias
Source
TCMBank
Preferred
No
Name
3alpha-Hydroxy-5beta-pregnan-20-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3alpha-Hydroxy-5beta-pregnan-20-one
Role
alias
Source
TCMBank
Preferred
No
Name
3alpha-Hydroxy-5beta-pregnan-20-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5.beta.-Pregnan-20-one, 3.alpha.-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
5beta-Pregnan-20-one, 3alpha-hydroxy- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
5beta-Pregnan-3alpha-ol-20-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5beta-Pregnan-3alpha-ol-20-one
Role
alias
Source
TCMBank
Preferred
No
Name
5beta-Pregnan-3alpha-ol-20-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 4785659
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:1712
Role
alias
Source
TCMBank
Preferred
No
Name
Eltanolona
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eltanolona
Role
alias
Source
HERB_v2
Preferred
No
Name
Eltanolona [INN-Spanish]
Role
alias
Source
TCMBank
Preferred
No
Name
Eltanolone [INN]
Role
alias
Source
TCMBank
Preferred
No
Name
Eltanolone [INN]
Role
alias
Source
HERB_v2
Preferred
No
Name
Eltanolone [INN]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eltanolonum
Role
alias
Source
HERB_v2
Preferred
No
Name
Eltanolonum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eltanolonum [INN-Latin]
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 82867
Role
alias
Source
TCMBank
Preferred
No
Name
Pregnan-20-one, 3-hydroxy-, (3alpha,5beta)-
Role
alias
Source
TCMBank
Preferred
No
Name
Pregnan-3alpha-ol-20-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Pregnan-3alpha-ol-20-one
Role
alias
Source
TCMBank
Preferred
No
Name
Pregnan-3alpha-ol-20-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pregnanolone
Role
alias
Source
HERB_v2
Preferred
No
Name
Pregnanolone
Role
alias
Source
TCMBank
Preferred
No
Name
Pregnanolone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pregnanolone II
Role
alias
Source
HERB_v2
Preferred
No
Name
Pregnanolone II
Role
alias
Source
TCMBank
Preferred
No
Name
Pregnanolone II
Role
alias
Source
itcmdb_public
Preferred
No
Name
SKF 6455
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: L E5 B666TJ A1 E1 FV1 OQ
Role
alias
Source
TCMBank
Preferred
No
Name
pregnelotone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dictamnus dasycarpus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.清热燥湿药(10-10)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and dampness-drying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3alpha,5beta)-3-hydroxypregnan-20-one1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone128-20-13.alpha.,5.beta.-Epimeric pregnanolone3.alpha.-Hydroxy-5.beta.-tetrahydroprogesterone3alpha-Hydroxy-5beta-pregnan-20-one5.beta.-Pregnan-20-one, 3.alpha.-hydroxy-5beta-Pregnan-20-one, 3alpha-hydroxy- (8CI)5beta-Pregnan-3alpha-ol-20-oneBRN 4785659CHEBI:1712EltanolonaEltanolona [INN-Spanish]Eltanolone [INN]EltanolonumEltanolonum [INN-Latin]NSC 82867Pregnan-20-one, 3-hydroxy-, (3alpha,5beta)-Pregnan-3alpha-ol-20-onePregnanolonePregnanolone IISKF 6455WLN: L E5 B666TJ A1 E1 FV1 OQpregnelotoneDictamnus dasycarpus2.清热药(64-64)heat-clearing medicinal2.清热燥湿药(10-10)heat-clearing and dampness-drying medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
128-20-1
Herb
HBIN025022
Npass
NPC156277
Tcmsp
MOL006267
Sym Map
SMIT07914
Pub Chem
31402
Tcmbank
TCMBANKIN007152TCMBANKIN015311
Etcm Ingredient
ELTANOLONEpregnelotone
Itcmdb Generated
ITX-INGREDIENT-DEC29738944EITX-INGREDIENT-C4A8A234C3CAITX-INGREDIENT-FC55686B3971
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
4
In Ch I
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1
Mol Wt
318.501
Cas Id
128-20-1
Smiles
CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
37 Flag
37
C Count
21
Mol Log P
4.595200000000005
N Count
0
O Count
2
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
AURFZBICLPNKBZ-YZRLXODZSA-N
Ob Score
14.3337557614.33375614.334
Suppress
0
Tcm Name
白鲜皮
Mol2 Path
/TCM_database/2.清热药(64-64)/2.清热燥湿药(10-10)/白鲜皮/structure/pregnelotone.mol2
Num Hdonors
1
Tcm Name En
Dictamnus dasycarpus
Level1 Name
2.清热药(64-64)
Level2 Name
2.清热燥湿药(10-10)
Num H Donors
1
Drug Likeness
0.767
Num Hacceptors
2
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and dampness-drying medicinal
Isomeric Smiles
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
Molecule Weight
318.55
Num H Acceptors
2
Canonical Smiles
CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
Herb Alias Names
Pregnanolone128-20-13alpha-Hydroxy-5beta-pregnan-20-onePregnan-3alpha-ol-20-onePregnanolone IIEltanolonaEltanolonum5beta-Pregnan-3alpha-ol-20-oneEltanolone [INN]
Molecular Weight
318.260
Molecular Volume
242
Molecular Weight
318.49
Molecular Formula
C21H34O2
Molecular Formula
C21H34O2
Molecular Formula
C21H34O2
Num Rotatable Bonds
1
Num Rotatable Bonds
1
Molecular Polar Surface Area
37
Fda Maximum Daily Dose (Fdamdd)
0.864
Quantitative Estimate Of Drug Likeness（Qed）
0.767