Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15447
- Core Entity Id
- 20336
- Source Entity Count
- 1
- Preferred Name
- Crychine
- Name En
- Pubchem Id
- 12304178
- Smiles Canonical
- CN1C2CC3=CC4=C(C=C3C1CC5=CC6=C(C=C25)OCO6)OCO4
- Molecular Formula
- C19H17NO4
- Molecular Weight
- 323.3480
- Inchikey
- PGINMPJZCWDQNT-GJZGRUSLSA-N
- Inchi
- InChI=1S/C19H17NO4/c1-20-14-2-10-4-16-18(23-8-21-16)6-12(10)15(20)3-11-5-17-19(7-13(11)14)24-9-22-17/h4-7,14-15H,2-3,8-9H2,1H3/t14-,15-/m0/s1
- Isomeric Smiles
- CN1[C@H]2CC3=CC4=C(C=C3[C@@H]1CC5=CC6=C(C=C25)OCO6)OCO4
- Cas Id
- Ob Score
- Mol Logp
- 2.9704
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Crychine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Crychine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Crychine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Crychine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
厚壳桂
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HOU KE GUI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Cryptocarya
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1S,12S)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,12S)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene
Role
alias
Source
itcmdb_public
Preferred
No
Name
4040-75-9
Role
alias
Source
HERB_v2
Preferred
No
Name
4040-75-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50259677
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50259677
Role
alias
Source
HERB_v2
Preferred
No
Name
C19H17NO4
Role
alias
Source
itcmdb_public
Preferred
No
Name
C19H17NO4
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL481839
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL481839
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70904965
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70904965
Role
alias
Source
itcmdb_public
Preferred
No
Name
Escholzine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Escholzine
Role
alias
Source
HERB_v2
Preferred
No
Name
escholtzine
Role
alias
Source
HERB_v2
Preferred
No
Name
escholtzine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
厚壳桂HOU KE GUIChinese Cryptocarya(1S,12S)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene4040-75-9BDBM50259677C19H17NO4CHEMBL481839DTXSID70904965Escholzineescholtzine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021770
Npass
NPC210148
Tcmid
4276
Pub Chem
12304178
Tcmbank
TCMBANKIN040228
Etcm Ingredient
Crychine
Itcmdb Generated
ITX-INGREDIENT-FFA4F5B34B60
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H17NO4/c1-20-14-2-10-4-16-18(23-8-21-16)6-12(10)15(20)3-11-5-17-19(7-13(11)14)24-9-22-17/h4-7,14-15H,2-3,8-9H2,1H3/t14-,15-/m0/s1
Mol Wt
323.3480000000001
Mol Log P
2.970400000000001
In Ch Ikey
PGINMPJZCWDQNT-GJZGRUSLSA-N
Tcm Name
厚壳桂
Tcm Name2
HOU KE GUI
Mol2 Path
/TCM_database/2007_3d_all/04277.mol2
Reference
3092
Num Hdonors
0
Tcm Name En
Chinese Cryptocarya
Drug Likeness
0.745
Num Hacceptors
5
Isomeric Smiles
CN1[C@H]2CC3=CC4=C(C=C3[C@@H]1CC5=CC6=C(C=C25)OCO6)OCO4
Canonical Smiles
CN1C2CC3=CC4=C(C=C3C1CC5=CC6=C(C=C25)OCO6)OCO4
Herb Alias Names
escholtzineEscholzine4040-75-9CHEMBL481839(1S,12S)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaeneC19H17NO4DTXSID70904965BDBM50259677
Molecular Weight
323.120
Molecular Weight
323.3 g/mol
Molecular Formula
C19H17NO4
Molecular Formula
C19H17NO4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.996
Quantitative Estimate Of Drug Likeness（Qed）
0.745