Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16038
- Core Entity Id
- 20995
- Source Entity Count
- 1
- Preferred Name
- Cyperol
- Name En
- Pubchem Id
- 14076601
- Smiles Canonical
- CC1=C2CC(CCC2(CCC1O)C)C(=C)C
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- APWLDLGOYJHNIK-YUELXQCFSA-N
- Inchi
- InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12,14,16H,1,5-9H2,2-4H3/t12-,14-,15+/m1/s1
- Isomeric Smiles
- CC1=C2C[C@@H](CC[C@]2(CC[C@H]1O)C)C(=C)C
- Cas Id
- 20084-99-5
- Ob Score
- 27.6140
- Mol Logp
- 3.8401
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cyperol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cyperol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cyperol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cyperol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
cyperol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,4aS,7R)-1,4a-Dimethyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,4aS,7R)-1,4a-Dimethyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,4aS,7R)-1,4a-Dimethyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
20084-99-5
Role
alias
Source
HERB_v2
Preferred
No
Name
20084-99-5
Role
alias
Source
TCMBank
Preferred
No
Name
20084-99-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
3ALPHA-HYDROXY-CYPERONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
3ALPHA-HYDROXY-CYPERONE
Role
alias
Source
HERB_v2
Preferred
No
Name
3ALPHA-HYDROXY-CYPERONE
Role
alias
Source
TCMBank
Preferred
No
Name
APWLDLGOYJHNIK-YUELXQCFSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
APWLDLGOYJHNIK-YUELXQCFSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
APWLDLGOYJHNIK-YUELXQCFSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
C16945
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:80813
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:80813
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:80813
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2268862
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2268862
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2268862
Role
alias
Source
TCMBank
Preferred
No
Name
Cyperol
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID70555532
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70555532
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID70555532
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZBY4C8VN8M
Role
alias
Source
HERB_v2
Preferred
No
Name
ZBY4C8VN8M
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,4aS,7R)-1,4a-Dimethyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol(2R,4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol20084-99-53ALPHA-HYDROXY-CYPERONEAPWLDLGOYJHNIK-YUELXQCFSA-NC16945CHEBI:80813CHEMBL2268862DTXSID70555532ZBY4C8VN8M
Cross References
Trusted external identifiers retained for this final record.
Cas
20084-99-5
Herb
HBIN022498
Npass
NPC96793
Tcmid
4577
Tcmsp
MOL004041
Sym Map
SMIT01368SMIT06025
Tcm Id
5215
Pub Chem
14076601
Tcmbank
TCMBANKIN048156
Etcm Ingredient
Cyperol
Itcmdb Generated
ITX-INGREDIENT-7C96D203E7F4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12,14,16H,1,5-9H2,2-4H3/t12-,14-,15+/m1/s1
Mol Wt
220.356
Cas Id
20084-99-5
Smiles
CC1=C2CC(CCC2(CCC1O)C)C(=C)C
Mol Log P
3.840100000000003
Version
v1,v2
In Ch Ikey
APWLDLGOYJHNIK-YUELXQCFSA-N
Ob Score
27.6140432
Suppress
1
Mol2 Path
/TCM_database/2007_3d_all/04578.mol2
Reference
6
Num Hdonors
1
Drug Likeness
0.666
Num Hacceptors
1
Isomeric Smiles
CC1=C2C[C@@H](CC[C@]2(CC[C@H]1O)C)C(=C)C
Molecule Weight
220.39
Canonical Smiles
CC1=C2CC(CCC2(CCC1O)C)C(=C)C
Herb Alias Names
20084-99-5CHEBI:80813(2R,4aS,7R)-1,4a-Dimethyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol(2R,4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-olZBY4C8VN8M3ALPHA-HYDROXY-CYPERONECHEMBL2268862DTXSID70555532APWLDLGOYJHNIK-YUELXQCFSA-N
Molecular Weight
220.180
Molecular Weight
220.35
Molecule Formula
C15H24O
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
1
Link Ingredient Id
1368.0
Fda Maximum Daily Dose (Fdamdd)
0.460
Quantitative Estimate Of Drug Likeness（Qed）
0.666