Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 14Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17917
- Core Entity Id
- 23090
- Source Entity Count
- 1
- Preferred Name
- Egenine
- Name En
- Pubchem Id
- 189685
- Smiles Canonical
- CN1CCC2=CC3=C(C=C2C1C4C5=C(C(O4)O)C6=C(C=C5)OCO6)OCO3
- Molecular Formula
- C20H19NO6
- Molecular Weight
- 369.3730
- Inchikey
- YMHFBUOKLSWOQF-NSHGMRRFSA-N
- Inchi
- InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18,20,22H,4-5,8-9H2,1H3/t17-,18+,20-/m0/s1
- Isomeric Smiles
- CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C([C@H](O4)O)C6=C(C=C5)OCO6)OCO3
- Cas Id
- 6883-44-9
- Ob Score
- 6.7860
- Mol Logp
- 2.4354
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Egenine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
EGENINE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
EGENINE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Egenine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Egenine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Egenine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(+)-Decumbensine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Egenine
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Egenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-7'-O-methylegenine
Role
alias
Source
TCMBank
Preferred
No
Name
(6R,8S)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydro-[1,3]dioxolo[4,5-e]isobenzofuran-8-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6R,8S)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydro-[1,3]dioxolo[4,5-e]isobenzofuran-8-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(6R,8S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6R,8S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
119736-64-0
Role
alias
Source
HERB_v2
Preferred
No
Name
119736-64-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
6883-44-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
6883-44-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Decumbensine
Role
alias
Source
HERB_v2
Preferred
No
Name
Furo(3,4-e)-1,3-benzodioxol-8-ol, 6,8-dihydro-6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (6R-(6alpha(S*),8alpha))-
Role
alias
Source
HERB_v2
Preferred
No
Name
Furo(3,4-e)-1,3-benzodioxol-8-ol, 6,8-dihydro-6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (6R-(6alpha(S*),8alpha))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL12904807
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL12904807
Role
alias
Source
itcmdb_public
Preferred
No
Name
119736-65-1
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(+)-Humosine A
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6S,8R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(6S,8R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[4,3-g][1,3]benzodioxol-8-ol
Role
alias
Source
TCMBank
Preferred
No
Name
11014-02-1
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50286640
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4162070
Role
alias
Source
HERB_v2
Preferred
No
Name
Corytensine
Role
alias
Source
HERB_v2
Preferred
No
Name
Epi-alpha-decumbensine
Role
alias
Source
HERB_v2
Preferred
No
Name
Humosine A
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Decumbensine(+)-Egenine(-)-7'-O-methylegenine(6R,8S)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydro-[1,3]dioxolo[4,5-e]isobenzofuran-8-ol(6R,8S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol119736-64-06883-44-9DecumbensineFuro(3,4-e)-1,3-benzodioxol-8-ol, 6,8-dihydro-6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (6R-(6alpha(S*),8alpha))-SCHEMBL12904807119736-65-1(+)-Humosine A(6S,8R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol(6S,8R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[4,3-g][1,3]benzodioxol-8-ol11014-02-1BDBM50286640CHEMBL4162070CorytensineEpi-alpha-decumbensineHumosine A
Cross References
Trusted external identifiers retained for this final record.
Cas
6883-44-9119736-65-1
Herb
HBIN024904HBIN000332
Npass
NPC149941NPC290525
Tcmsp
MOL003291MOL000788
Sym Map
SMIT05388SMIT03312
Pub Chem
189685605434189686
Tcmbank
TCMBANKIN003941TCMBANKIN031529
Etcm Ingredient
EGENINE119736-65-1
Itcmdb Generated
ITX-INGREDIENT-2D643710B6B6ITX-INGREDIENT-54E0C7C210C7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18,20,22H,4-5,8-9H2,1H3/t17-,18+,20-/m0/s1
Mol Wt
369.3730000000002
Cas Id
6883-44-9
Smiles
CN1CCC2=CC3=C(C=C2C1C4C5=C(C(O4)O)C6=C(C=C5)OCO6)OCO3
Mol Log P
2.4354
Version
v1,v2
In Ch Ikey
YMHFBUOKLSWOQF-NSHGMRRFSA-N
Ob Score
6.7866.7863929066.786393
Suppress
0
Num Hdonors
1
Drug Likeness
0.828
Num Hacceptors
7
Isomeric Smiles
CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C([C@H](O4)O)C6=C(C=C5)OCO6)OCO3
Molecule Weight
383.43
Canonical Smiles
CN1CCC2=CC3=C(C=C2C1C4C5=C(C(O4)O)C6=C(C=C5)OCO6)OCO3
Herb Alias Names
Decumbensine(+)-Egenine6883-44-9(+)-Decumbensine(6R,8S)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydro-[1,3]dioxolo[4,5-e]isobenzofuran-8-olFuro(3,4-e)-1,3-benzodioxol-8-ol, 6,8-dihydro-6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (6R-(6alpha(S*),8alpha))-119736-64-0(6R,8S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-olSCHEMBL12904807
Molecular Weight
383.140
Molecular Weight
369.37
Molecular Formula
C21H21NO6
Molecular Formula
C20H19NO6
Molecular Formula
C20H19NO6
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.950
Quantitative Estimate Of Drug Likeness（Qed）
0.790