Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39552
- Core Entity Id
- 74616
- Source Entity Count
- 1
- Preferred Name
- 1-hydroxycryprochine
- Name En
- Pubchem Id
- 101140029
- Smiles Canonical
- CN1CCC2=CC(=C(C3=C2C1CC34CCC(C=C4)O)O)OC
- Molecular Formula
- C18H23NO3
- Molecular Weight
- 301.3860
- Inchikey
- XXPUHUHGYZFFIO-JCGVRSQUSA-N
- Inchi
- InChI=1S/C18H23NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3,6,9,12-13,20-21H,4-5,7-8,10H2,1-2H3/t12-,13+,18-/m0/s1
- Isomeric Smiles
- CN1CCC2=CC(=C(C3=C2[C@H]1C[C@]34CC[C@H](C=C4)O)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.2822
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Hydroxycryprochine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-Hydroxycryprochine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-hydroxycryprochine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-hydroxycryprochine
Role
preferred
Source
HERB_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
Aliases
Additional names normalized into the restored final schema.
厚壳桂HOU KE GUIChinese Cryptocarya
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002650
Npass
NPC84959
Tcmid
9947
Pub Chem
101140029
Tcmbank
TCMBANKIN048625
Etcm Ingredient
1-Hydroxycryprochine
Itcmdb Generated
ITX-INGREDIENT-081E4F3C40D2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H23NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3,6,9,12-13,20-21H,4-5,7-8,10H2,1-2H3/t12-,13+,18-/m0/s1
Mol Wt
301.386
Mol Log P
2.2822
In Ch Ikey
XXPUHUHGYZFFIO-JCGVRSQUSA-N
Tcm Name
厚壳桂
Tcm Name2
HOU KE GUI
Mol2 Path
/TCM_database/2007_3d_all/09948.mol2
Reference
4129
Num Hdonors
2
Tcm Name En
Chinese Cryptocarya
Drug Likeness
0.782
Num Hacceptors
4
Isomeric Smiles
CN1CCC2=CC(=C(C3=C2[C@H]1C[C@]34CC[C@H](C=C4)O)O)OC
Canonical Smiles
CN1CCC2=CC(=C(C3=C2C1CC34CCC(C=C4)O)O)OC
Molecular Weight
301.170
Molecular Weight
301.4 g/mol
Molecular Formula
C18H23NO3
Molecular Formula
C18H23NO3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.959
Quantitative Estimate Of Drug Likeness（Qed）
0.782