Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15262
- Core Entity Id
- 20130
- Source Entity Count
- 1
- Preferred Name
- Cortol
- Name En
- Pubchem Id
- 246873
- Smiles Canonical
- CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(CO)O)O)C)O)O
- Molecular Formula
- C21H36O5
- Molecular Weight
- 368.5140
- Inchikey
- FFPUNPBUZDTHJI-XPOJVAQCSA-N
- Inchi
- InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1
- Isomeric Smiles
- C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C)O)O
- Cas Id
- 667-65-2
- Ob Score
- Mol Logp
- 1.4451
- Num H Donors
- 5
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cortol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cortol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cortol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
20alpha-Cortol
Role
alias
Source
itcmdb_public
Preferred
No
Name
20alpha-Cortol
Role
alias
Source
HERB_v2
Preferred
No
Name
516-38-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
516-38-1
Role
alias
Source
HERB_v2
Preferred
No
Name
5IHL40EHNB
Role
alias
Source
itcmdb_public
Preferred
No
Name
5IHL40EHNB
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 60459
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 60459
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-5IHL40EHNB
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-5IHL40EHNB
Role
alias
Source
itcmdb_public
Preferred
No
Name
a-cortol
Role
alias
Source
itcmdb_public
Preferred
No
Name
a-cortol
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-cortol
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-cortol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
20alpha-Cortol516-38-15IHL40EHNBNSC 60459UNII-5IHL40EHNBa-cortolalpha-cortol
Cross References
Trusted external identifiers retained for this final record.
Cas
667-65-2
Herb
HBIN021534
Npass
NPC317242
Tcm Id
5479
Pub Chem
246873
Tcmbank
TCMBANKIN032558
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1
Mol Wt
368.5140000000001
Cas Id
667-65-2
Smiles
CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(CO)O)O)C)O)O
Mol Log P
1.445100000000001
In Ch Ikey
FFPUNPBUZDTHJI-XPOJVAQCSA-N
Num Hdonors
5
Drug Likeness
0.508
Num Hacceptors
5
Isomeric Smiles
C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C)O)O
Canonical Smiles
CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(CO)O)O)C)O)O
Herb Alias Names
alpha-cortol516-38-120alpha-Cortola-cortolUNII-5IHL40EHNB5IHL40EHNB.alpha.-Cortol20.alpha.-CortolNSC 60459
Molecular Weight
368.51
Molecular Formula
C21H36O5
Molecular Formula
C21H36O5
Num Rotatable Bonds
2