IngredientID 35501

Trans-carveol

C10H16O

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 12Ingredient: 1Target: 12Links: 26

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 35501
Core Entity Id: 42650
Source Entity Count: 1
Preferred Name: Trans-carveol
Name En
Pubchem Id: 443177
Smiles Canonical: CC1=CCC(CC1O)C(=C)C
Molecular Formula: C10H16O
Molecular Weight: 152.2370
Inchikey: BAVONGHXFVOKBV-UWVGGRQHSA-N
Inchi: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m0/s1
Isomeric Smiles: CC1=CC[C@@H](C[C@@H]1O)C(=C)C
Cas Id: 99-48-9
Ob Score: 32.4975
Mol Logp: 2.2797
Num H Donors: 1
Num H Acceptors: 1
Num Rotatable Bonds: 1
Drug Likeness: 0.5710
Polar Surface Area: 20.2300
Molecular Volume: 144.0500
Alogp: 2.4000

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

(+)-Trans-Carveol

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

(4S,6S)-Cis-Carveol

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

(+)-Trans-Carveol

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

(+)-trans-Carveol

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(+)-trans-carveol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

(-)-trans-carveol

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(-)-trans-carveol

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

(4S,6S)-Cis-Carveol

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

(4s,6s)-cis-carveol

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(4s,6s)-cis-carveol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

艾叶

Role

TCM_name

Source

TCMBank

Preferred

Name

艾叶; 黄花蒿

Role

TCM_name

Source

TCMBank

Preferred

Name

花椒

Role

TCM_name

Source

TCMBank

Preferred

Name

AI YE

Role

TCM_name2

Source

TCMBank

Preferred

Name

AI YE; HUANG HUA HAO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Zanthoxylum schinifolium; Zanthoxylum bungeanum

Role

TCM_name2

Source

TCMBank

Preferred

Name

Argy Wormwood Leaf

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Argy Wormwood Leaf; Sweet Wormwood

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Pricklyash peel

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(+)-(4S,6S)-cis-carveol

Role

alias

Source

HERB_v2

Preferred

Name

(+)-(4S,6S)-cis-carveol

Role

alias

Source

itcmdb_public

Preferred

Name

(+)-cis-carveol

Role

alias

Source

HERB_v2

Preferred

Name

(+)-cis-carveol

Role

alias

Source

itcmdb_public

Preferred

Name

(+/-)-trans-carveol

Role

alias

Source

itcmdb_public

Preferred

Name

(-)-trans-Carveol

Role

alias

Source

HERB_v2

Preferred

Name

(1R,5S)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol

Role

alias

Source

HERB_v2

Preferred

Name

(1R,5S)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol

Role

alias

Source

itcmdb_public

Preferred

Name

(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

Role

alias

Source

HERB_v2

Preferred

Name

(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

Role

alias

Source

itcmdb_public

Preferred

Name

(1R,5S)-carveol

Role

alias

Source

HERB_v2

Preferred

Name

(1R,5S)-carveol

Role

alias

Source

itcmdb_public

Preferred

Name

(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

Role

alias

Source

HERB_v2

Preferred

Name

(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

Role

alias

Source

itcmdb_public

Preferred

Name

(1S,5R)-carveol

Role

alias

Source

HERB_v2

Preferred

Name

(1S,5R)-carveol

Role

alias

Source

itcmdb_public

Preferred

Name

(1S,5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol

Role

alias

Source

HERB_v2

Preferred

Name

(1S,5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol

Role

alias

Source

itcmdb_public

Preferred

Name

(1S,5S)-carveol

Role

alias

Source

HERB_v2

Preferred

Name

(1S,5S)-carveol

Role

alias

Source

itcmdb_public

Preferred

Name

(4S,6R)-trans-Carveol

Role

alias

Source

HERB_v2

Preferred

Name

(4S,6R)-trans-Carveol

Role

alias

Source

itcmdb_public

Preferred

Name

18383-51-2

Role

alias

Source

HERB_v2

Preferred

Name

18383-51-2

Role

alias

Source

itcmdb_public

Preferred

Name

2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1S,5S)-

Role

alias

Source

HERB_v2

Preferred

Name

2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1S,5S)-

Role

alias

Source

itcmdb_public

Preferred

Name

2102-58-1

Role

alias

Source

itcmdb_public

Preferred

Name

2102-58-1

Role

alias

Source

HERB_v2

Preferred

Name

7632-16-8

Role

alias

Source

itcmdb_public

Preferred

Name

7632-16-8

Role

alias

Source

HERB_v2

Preferred

Name

Carveol, cis-(+)-

Role

alias

Source

itcmdb_public

Preferred

Name

Carveol, cis-(+)-

Role

alias

Source

HERB_v2

Preferred

Name

Carveol, trans-

Role

alias

Source

HERB_v2

Preferred

Name

Carveol, trans-

Role

alias

Source

itcmdb_public

Preferred

Name

IU746IQW52

Role

alias

Source

itcmdb_public

Preferred

Name

IU746IQW52

Role

alias

Source

HERB_v2

Preferred

Name

L-TRANS-CARVEOL

Role

alias

Source

HERB_v2

Preferred

Name

L-TRANS-CARVEOL

Role

alias

Source

itcmdb_public

Preferred

Name

U8HAD4FX2O

Role

alias

Source

HERB_v2

Preferred

Name

U8HAD4FX2O

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-IU746IQW52

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-IU746IQW52

Role

alias

Source

HERB_v2

Preferred

Name

UNII-U8HAD4FX2O

Role

alias

Source

HERB_v2

Preferred

Name

UNII-U8HAD4FX2O

Role

alias

Source

itcmdb_public

Preferred

Name

p-Mentha-6,8-dien-2-ol, (2R,4S)-(+)-

Role

alias

Source

HERB_v2

Preferred

Name

p-Mentha-6,8-dien-2-ol, (2R,4S)-(+)-

Role

alias

Source

itcmdb_public

Preferred

Name

p-Mentha-6,8-dien-2-ol, trans-

Role

alias

Source

HERB_v2

Preferred

Name

p-Mentha-6,8-dien-2-ol, trans-

Role

alias

Source

itcmdb_public

Preferred

Name

17.温里药(11-13)

Role

level1_name

Source

TCMBank

Preferred

Name

interior-warming medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

Carveol

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

carveol

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(-)-Carveol

Role

alias

Source

HERB_v2

Preferred

Name

(-)-Carveol [FCC]

Role

alias

Source

TCMBank

Preferred

Name

(1R)-(-)-Carveol

Role

alias

Source

TCMBank

Preferred

Name

(1sr,5s)-2-methyl-5-(1-methylethenyl)-2-cyclohexene-1-ol

Role

alias

Source

TCMBank

Preferred

Name

(5S)-2-Methyl-5alpha-isopropenyl-2-cyclohexen-1-ol

Role

alias

Source

TCMBank

Preferred

Name

1-Methyl-4-isopropenyl-6-cyclohexen-2-ol

Role

alias

Source

HERB_v2

Preferred

Name

1253216-40-8

Role

alias

Source

TCMBank

Preferred

Name

2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1S)-

Role

alias

Source

TCMBank

Preferred

Name

2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol

Role

alias

Source

HERB_v2

Preferred

Name

2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

Role

alias

Source

itcmdb_public

Preferred

Name

99-48-9

Role

alias

Source

HERB_v2

Preferred

Name

Carveol [FHFI]

Role

alias

Source

TCMBank

Preferred

Name

Carveol, (-)-

Role

alias

Source

TCMBank

Preferred

Name

Carveol, L-

Role

alias

Source

TCMBank

Preferred

Name

L-Carveol

Role

alias

Source

TCMBank

Preferred

Name

Mixture OF 40-50% Z-(-)-carveol AND 50-60% E-(-)-carveol

Role

alias

Source

TCMBank

Preferred

Name

p-Mentha-1,8-dien-6-ol

Role

alias

Source

HERB_v2

Preferred

Name

p-Mentha-6,8-dien-2-ol

Role

alias

Source

HERB_v2

Preferred

Name

Cis-Carveol

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Cis-carveol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

cis-Carveol

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

cis–carveol

Role

preferred

Source

TCMBank

Preferred

Yes

Name

黄花蒿

Role

TCM_name

Source

TCMBank

Preferred

Name

HUANG HUA HAO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Sweet Wormwood

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(-)-cis-Carveol

Role

alias

Source

HERB_v2

Preferred

Name

(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

Role

alias

Source

HERB_v2

Preferred

Name

(4R,6R)-cis-Carveol

Role

alias

Source

itcmdb_public

Preferred

Name

1197-06-4

Role

alias

Source

itcmdb_public

Preferred

Name

2102-59-2

Role

alias

Source

itcmdb_public

Preferred

Name

Carveol, cis-

Role

alias

Source

HERB_v2

Preferred

Name

Zanthoxylum bungeanum

Role

TCM_name2

Source

TCMBank

Preferred

Name

cis-2-methyl-5-(1-methylethenyl)- 2-cyclohexen-1-ol

Role

preferred

Source

TCMBank

Preferred

Yes

Aliases

Additional names normalized into the restored final schema.

(+)-Trans-Carveol(4S,6S)-Cis-Carveol(-)-trans-carveol艾叶艾叶; 黄花蒿花椒AI YEAI YE; HUANG HUA HAOZanthoxylum schinifolium; Zanthoxylum bungeanumArgy Wormwood LeafArgy Wormwood Leaf; Sweet WormwoodPricklyash peel(+)-(4S,6S)-cis-carveol(+)-cis-carveol(+/-)-trans-carveol(1R,5S)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol(1R,5S)-carveol(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol(1S,5R)-carveol(1S,5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol(1S,5S)-carveol(4S,6R)-trans-Carveol18383-51-22-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1S,5S)-2102-58-17632-16-8Carveol, cis-(+)-Carveol, trans-IU746IQW52L-TRANS-CARVEOLU8HAD4FX2OUNII-IU746IQW52UNII-U8HAD4FX2Op-Mentha-6,8-dien-2-ol, (2R,4S)-(+)-p-Mentha-6,8-dien-2-ol, trans-17.温里药(11-13)interior-warming medicinalCarveol(-)-Carveol(-)-Carveol [FCC](1R)-(-)-Carveol(1sr,5s)-2-methyl-5-(1-methylethenyl)-2-cyclohexene-1-ol(5S)-2-Methyl-5alpha-isopropenyl-2-cyclohexen-1-ol1-Methyl-4-isopropenyl-6-cyclohexen-2-ol1253216-40-82-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1S)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol99-48-9Carveol [FHFI]Carveol, (-)-Carveol, L-L-CarveolMixture OF 40-50% Z-(-)-carveol AND 50-60% E-(-)-carveolp-Mentha-1,8-dien-6-olp-Mentha-6,8-dien-2-olCis-Carveolcis–carveol黄花蒿HUANG HUA HAOSweet Wormwood(-)-cis-Carveol(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol(4R,6R)-cis-Carveol1197-06-42102-59-2Carveol, cis-Zanthoxylum bungeanumcis-2-methyl-5-(1-methylethenyl)- 2-cyclohexen-1-ol

Cross References

Trusted external identifiers retained for this final record.

Cas

2102-58-199-48-91197-06-4

Herb

HBIN010903HBIN024782HBIN046731HBIN046732HBIN046734HBIN019796HBIN020831HBIN020832

Npass

NPC154466NPC251666NPC75121NPC232247NPC236602

Tcmid

32353554037704389752357032343770539851

Tcmsp

MOL000473MOL002170MOL004709MOL002002

Sym Map

SMIT03070SMIT04467SMIT06574SMIT14595SMIT18391SMIT01327SMIT04326

Tcm Id

42858705314

Pub Chem

443177443178942217438330573

Tcmbank

TCMBANKIN027443TCMBANKIN048601TCMBANKIN053906TCMBANKIN055360TCMBANKIN059994TCMBANKIN024445TCMBANKIN024575TCMBANKIN053828TCMBANKIN055359TCMBANKIN015889TCMBANKIN057663

Etcm Ingredient

(+)-trans-Carveol(-)-trans-carveol(-)-cis-carveolcis-Carveol2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol

Itcmdb Generated

ITX-INGREDIENT-11DF4F971C8FITX-INGREDIENT-40F2114A1CD8ITX-INGREDIENT-73A1558CC1A0ITX-INGREDIENT-C0F620A7A899ITX-INGREDIENT-E36ED5A79C69ITX-INGREDIENT-063CCE9BD65AITX-INGREDIENT-263F1F0DFDEAITX-INGREDIENT-CF991163C1DAITX-INGREDIENT-D97B45B9A469ITX-INGREDIENT-11CAAE313FD2ITX-INGREDIENT-BCA030A61E89ITX-INGREDIENT-FE77E2D36860

Attributes

Merged source attributes and domain-specific metadata.

3.09579

2.59451

2.62927

Bic

0.8366

Cic

0.36363

Phi

2.50249

Sic

0.89488

Log D

2.4

Sc 0

Sc 1

Sc 2

Type

Other ingredients

Alog P

2.4

Chi 0

8.43072

Chi 1

5.10906

Chi 2

4.77171

In Ch I

InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m0/s1InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m0/s1

Mol Wt

152.237

Pmi X

29.915529.9461

Cas Id

99-48-9

Energy

3.716.26

Sc 3 C

Sc 3 P

Smiles

CC1=CCC(CC1O)C(=C)C[C@@]1([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])[C@]([H])(O[H])C1([H])[H][C@]1([H])(O[H])C(C([H])([H])[H])=C([H])C([H])([H])[C@@]([H])(C(C([H])([H])[H])=C([H])[H])C1([H])[H]

Zagreb

37 Flag

Chi 3 C

0.9714

Chi 3 P

3.58154

Chi V 0

7.30058

Chi V 1

4.11077

Chi V 2

3.47861

C Count

Kappa 1

9.0909

Kappa 2

3.59999

Kappa 3

2.21453

Mol Log P

2.2797

N Count

O Count

P Count

Sc 3 Ch

S Count

Version

v1,v2

Alog P Mr

47.995

Chi 3 Ch

Dipole X

-0.69920.70219

Dipole Y

-0.392030.31806

Dipole Z

0.438310.44302

Iac Mean

1.15417

In Ch Ikey

BAVONGHXFVOKBV-UWVGGRQHSA-NBAVONGHXFVOKBV-VHSXEESVSA-NBAVONGHXFVOKBV-ZJUUUORDSA-N

Is Chiral

Ob Score

32.4975035632.49844.21444.2140196644.2140245.27745.2772457

Suppress

Tcm Name

艾叶艾叶; 黄花蒿花椒

Admet Bbb

0.259

Chi V 3 C

0.60641

Chi V 3 P

2.45465

Es Sum D O

Es Sum T N

E Adj Equ

97.7664

E Adj Mag

147.207

Hba Count

Hbd Count

Iac Total

31.1627

Jurs Rasa

0.871560.87331

Jurs Rncg

0.46216

Jurs Rncs

18.718418.8174

Jurs Rpcg

Jurs Rpcs

14.2514.4916

Jurs Rpsa

0.126680.12843

Jurs Sasa

317.022319.706

Jurs Tasa

276.306279.204

Jurs Tpsa

40.501240.7155

Num Atoms

Num Bonds

Num Rings

Shadow Xy

45.291745.4185

Shadow Xz

32.656432.9802

Shadow Yz

20.784820.8819

Shadow Nu

2.063982.06598

Tcm Name2

AI YEAI YE; HUANG HUA HAOZanthoxylum schinifolium; Zanthoxylum bungeanum

V Adj Equ

82.7686

V Adj Mag

98.1075

Mol2 Path

/TCM_database/17.温里药(11-13)/花椒/Zanthoxylum schinifolium/structure/trans-carveol.mol2/TCM_database/2003_3d_all/1222.mol2/TCM_database/2007_3d_all/03235.mol2

Reference

1, 660

Chi V 3 Ch

Dipole Mag

0.886740.9159

Es Sum Aa N

Es Sum Aa O

Es Sum D Nh

Es Sum Dd C

Es Sum Ds N

Es Sum S Oh

9.487

Es Sum Ss O

Es Sum T Ch

Es Sum Ts C

Kappa 1 Am

8.53578

Kappa 2 Am

3.22494

Kappa 3 Am

1.93336

Num Hdonors

Num Chains

Num Rings3

Num Rings4

Num Rings5

Num Rings6

Num Rings7

Num Rings8

Es Count D O

Es Count T N

Es Sum Aa Ch

Es Sum Aa Nh

Es Sum Aaa C

Es Sum Aas C

Es Sum Aas N

Es Sum D Ch2

3.897

Es Sum Dds N

Es Sum Ds Ch

2.118

Es Sum Dss C

2.301

Es Sum S Ch3

4.019

Es Sum S Nh2

Es Sum S Nh3

Es Sum Ss Nh

Es Sum Sss N

Jurs Dpsa 1

-288.521-290.722

Jurs Dpsa 3

31.421431.4276

Jurs Fnsa 1

0.954670.95505

Jurs Fnsa 2

-0.80291-0.80322

Jurs Fnsa 3

-0.09487-0.09575

Jurs Fpsa 1

0.044940.04532

Jurs Fpsa 2

0.003380.00341

Jurs Fpsa 3

0.003380.00341

Jurs Pnsa 1

302.771305.214

Jurs Pnsa 2

-254.638-256.692

Jurs Pnsa 3

-30.3297-30.354

Jurs Ppsa 1

14.2514.4916

Jurs Ppsa 3

1.073581.09177

Jurs Wnsa 1

95.985197.5786

Jurs Wnsa 2

-80.7257-82.0659

Jurs Wnsa 3

-9.62287-9.69656

Jurs Wpsa 1

4.517574.63303

Jurs Wpsa 3

0.340340.34904

Num Pi Bonds

Tcm Name En

Argy Wormwood LeafArgy Wormwood Leaf; Sweet WormwoodPricklyash peel

Level1 Name

17.温里药(11-13)

Level2 Name

1.活血止痛药(7-7)

Admet Psa 2 D

20.815

Es Count Aa N

Es Count Aa O

Es Count D Nh

Es Count Dd C

Es Count Ds N

Es Count S Oh

Es Count Ss O

Es Count T Ch

Es Count Ts C

Es Sum Ss Ch2

1.912

Es Sum Ss Nh2

Es Sum Sss Ch

0.262

Es Sum Sss Nh

Es Sum Ssss C

Es Sum Ssss N

Nplus O Count

Num H Donors

Admet Alog P98

2.4

Admet Ext Ppb

-1.28556

Drug Likeness

0.571

Es Count Aa Ch

Es Count Aa Nh

Es Count Aaa C

Es Count Aas C

Es Count Aas N

Es Count D Ch2

Es Count Dds N

Es Count Ds Ch

Es Count Dss C

Es Count S Ch3

Es Count S Nh2

Es Count S Nh3

Es Count Ss Nh

Es Count Sss N

Es Sum Sssss P

Num Hacceptors

Num Fragments

Num Hydrogens

Num Ring Bonds

Organic Count

Rad Of Gyration

1.51611.51707

Shadow Xyfrac

0.710.71333

Shadow Xzfrac

0.68160.6832

Shadow Yzfrac

0.67250.67757

Strain Energy

0.941.3

Es Count Ss Ch2

Es Count Ss Nh2

Es Count Sss Ch

Es Count Sss Nh

Es Count Ssss C

Es Count Ssss N

Molecular Mass

152.12

Molecular Sasa

338.729

Num Metal Atoms

Num Rings9 Plus

Shadow Xlength

9.937419.99344

Shadow Ylength

6.383296.40717

Shadow Zlength

4.810014.84181

Level1 Name En

interior-warming medicinal

Level2 Name En

blood-activating analgesic medicinal

Admet Bbb Level

Isomeric Smiles

CC1=CC[C@@H](C[C@@H]1O)C(=C)CCC1=CC[C@@H](C[C@H]1O)C(=C)CCC1=CC[C@H](C[C@@H]1O)C(=C)C

Molecular Savol

291.655

Molecule Weight

152.26

Num Atom Classes

Num Bridge Bonds

Num H Acceptors

Num Repeat Units

Admet Ext Cyp2 D6

-3.87931

Admet Solubility

-2.336

Canonical Smiles

CC1=CCC(CC1O)C(=C)C

Herb Alias Names

(+)-cis-carveol(1S,5S)-carveol7632-16-8Carveol, cis-(+)-U8HAD4FX2O2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1S,5S)-UNII-U8HAD4FX2O(1S,5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol(+)-(4S,6S)-cis-carveol

Minimized Energy

2.774.96

Molecular Weight

152.120

Molecular Volume

144.05145.08

Molecular Weight

152.23 g/mol152.233

Molecule Formula

C10H16O

Num Macro Chains

Molecular Formula

C10H16O

Molecular Formula

C10H16O

Molecular Formula

C10H16O

Num Rotatable Bonds

Num Aromatic Bonds

Num Aromatic Rings

Num Explicit Atoms

Num Explicit Bonds

Num Negative Atoms

Num Positive Atoms

Link Ingredient Id

1327.0

Num Macro Residues

Num Ring Assemblies

Num Rotatable Bonds

Molecular Polar Sasa

52.1529

Num Bridge Head Atoms

Num Chain Assemblies

Num Meso Stereo Atoms

Molecular Solubility

-1.875

Admet Ext Hepatotoxic

-7.98331

Admet Unknown Alog P98

Molecular Surface Area

184.91

Num Explicit Hydrogens

Num H Donors Lipinski

Num Pseudo Stereo Atoms

Admet Absorption Level

Admet Solubility Level

Admet Ext Ppb#Prediction

Num H Acceptors Lipinski

Molecular Polar Surface Area

20.23

Admet Ext Cyp2 D6#Prediction

Molecular Fractional Polar Sasa

0.153

Admet Ext Ppb Applicability#Md

10.4603

Fda Maximum Daily Dose (Fdamdd)

0.3270.970

Admet Ext Hepatotoxic#Prediction

Admet Ext Cyp2 D6 Applicability#Md

10.4301

Admet Ext Ppb Applicability#Mdpvalue

0.752604

Molecular Fractional Polar Surface Area

0.109

Admet Ext Hepatotoxic Applicability#Md

9.17913

Admet Ext Cyp2 D6 Applicability#Mdpvalue

0.060077

Admet Ext Hepatotoxic Applicability#Mdpvalue

0.368998

Quantitative Estimate Of Drug Likeness（Qed）

0.571